SCHEMBL6575634

SCHEMBL6575634

C=C(C)COc1c(C)cccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
SCN4A P35499 7/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 3/20 0.46
SCN1A P35498 2/20 0.46
SCN5A Q14524 2/20 0.46
SCN9A Q15858 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
NFKB1 P19838 2/20 0.46
CYP2C9 P11712 1/20 0.46
KCNK3 O14649 1/20 0.46
CACNA1F O60840 1/20 0.46
KCNK2 O95069 1/20 0.46
GBA1 P04062 1/20 0.46
MAOA P21397 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL16501711 0.82 GABRA1 (0.43) KMT2ASCN4ALMNATSHRSCN1A
SCHEMBL836542 0.79 KMT2A (0.56) KMT2ASCN4ALMNATSHRCYP1A2
SCHEMBL658547 0.79 ALDH1A1 (0.50) KMT2ALMNAMEN1HSD17B10ALDH1A1
SCHEMBL5786743 0.78 NOTUM (0.51) KMT2ALMNATSHRCYP1A2MAOA
SCHEMBL10046745 0.77 GABRA1 (0.46) KMT2ALMNATSHRMEN1HSD17B10
SCHEMBL14499026 0.77 KMT2A (0.57) KMT2ASCN4ALMNATSHRSCN1A
SCHEMBL5413518 0.77 GPR174 (0.44) KMT2ALMNATSHRCYP1A2CYP2C9
SCHEMBL14213249 0.76 GABRA1 (0.45) KMT2ALMNATSHRMEN1HSD17B10
SCHEMBL2398302 0.76 HSD17B10 (0.45) KMT2ASCN4ALMNATSHRSCN1A
SCHEMBL2398296 0.76 HSD17B10 (0.45) KMT2ASCN4ALMNATSHRSCN1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP claimed
JP-2002517387-A 2002-06-18 JP claimed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 EP claimed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US claimed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO claimed
WO-2021070714-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2021-04-15 WO disclosed
EP-1485358-B1 BROADSPECTRUM SUBSTITUTED BENZIMIDAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS TIBOTEC PHARM LTD (IE) 2011-02-02 EP disclosed
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP disclosed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 EP disclosed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US disclosed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO disclosed