SCHEMBL99544

SCHEMBL99544

O=[C]COc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
MAOB P27338 6/20 0.42
APP P05067 1/20 0.42
NR4A2 P43354 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
PARP10 Q53GL7 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2170360 0.88 CA12 (0.42) MAOBCA12CA1CA2CA7
SCHEMBL5258570 0.78 CYP1A2 (0.46) DAOCYP1A2CYP2D6CYP2C19TDP1
SCHEMBL5540730 0.77 SOD1 (0.47) DAO
SCHEMBL514661 0.77 APP (0.42) MAOBAPPCA12CA1CA2
SCHEMBL3251102 0.77 SYK (0.46) DAOMAOBAPPCYP1A2CYP2D6
SCHEMBL3830326 0.77 CA12 (0.53) MAOBAPPCA12CA1CA2
SCHEMBL6978990 0.77 TDP1 (0.52) MAOBAPPCA12CA1CA2
SCHEMBL514644 0.77 L3MBTL1 (0.47) MAOBPARP10L3MBTL1NPC1
SCHEMBL2641227 0.77 LTA4H (0.47) APPCYP1A2CYP2C19
SCHEMBL28675145 0.77 CYP1A2 (0.44) DAOMAOBAPPCYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105777640-B Pyrazole cyclohexanediol ether compound and application thereof 沈阳中化农药化工研发有限公司 2020-01-07 CN claimed
CN-105777640-A Pyrazole cyclohexanediol ether compounds and applications thereof 沈阳中化农药化工研发有限公司 2016-07-20 CN claimed
US-6107284-A Water-soluble derivatives of epipodophyllotoxin, process for their preparation, their use as medicinal products and their intended use in anti-cancer treatments PIERRE FABRE MEDICAMENT (FR) 2000-08-22 US claimed
EP-0787135-B1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PF MEDICAMENT (FR) 2000-05-24 EP claimed
EP-0787135-A1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1997-08-06 EP claimed
EP-0675895-B1 ETOPOSIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A DRUG AND IN THE PREPARATION OF A DRUG FOR TREATING CANCER PF MEDICAMENT (FR) 1997-07-23 EP claimed
US-5643885-A Etoposide derivatives, process for preparing them, their use as a medicinal product and their use for the preparation of a medicinal product intended for anti-cancer treatment PIERRE FABRE MEDICAMENT (FR) 1997-07-01 US claimed
JP-H08504795-A 1996-05-21 JP claimed
WO-1996012727-A1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1996-05-02 WO claimed
EP-0675895-A1 ETOPOSIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A DRUG AND IN THE PREPARATION OF A DRUG FOR TREATING CANCER. FABRE PIERRE COSMETIQUE (FR) 1995-10-11 EP claimed
EP-0469888-B1 Amidobenzenes ICI PLC (GB) 1994-09-28 EP claimed
WO-1994014829-A1 ETOPOSIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A DRUG AND IN THE PREPARATION OF A DRUG FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1994-07-07 WO claimed
US-5250570-A Aldose reductase inhibitors for controlling side effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-05 US claimed
EP-0469888-A1 Amidobenzenes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-05 EP claimed
WO-2024129931-A1 ALPHA-V BETA-6(ανβ6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-20 WO disclosed
CN-105777640-B Pyrazole cyclohexanediol ether compound and application thereof 沈阳中化农药化工研发有限公司 2020-01-07 CN disclosed
EP-2257297-B1 COMPOUNDS FOR USE IN THE TREATMENT OF ACNE, SEBORRHOEA AND SEBHORROEIC DERMATITIS, OR FOR REDUCING SEBUM SECRETION MIMETICA PTY LTD (AU) 2017-10-18 EP disclosed
US-4458071-A Process for 1-oxa-β-lactams ELI LILLY AND COMPANY (US) 1984-07-03 US disclosed
EP-0109302-A1 Process for 1-oxa-beta-lactams ELI LILLY AND COMPANY (US) 1984-05-23 EP disclosed
US-4042472-A Electrolytic process for 7-methoxy-3-exomethylenecepham compounds ELI LILLY AND COMPANY (US) 1977-08-16 US disclosed