SCHEMBL6350170

SCHEMBL6350170

C1=CCOC=C1.O=C(O)Cc1cc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
NLRP3 Q96P20 1/20 0.42
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
IDO1 P14902 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
DAO P14920 1/20 0.39
HPGD P15428 1/20 0.39
SRD5A2 P31213 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSK3B P49841 1/20 0.39
SSTR3 P32745 1/20 0.38
FLT3 P36888 1/20 0.37
MIF P14174 1/20 0.37
ADAMTS4 O75173 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL49270 0.82 LOXL2 (0.56) AKR1B1NLRP3MTNR1AMTNR1BIDO1
SCHEMBL29365671 0.82 LOXL2 (0.56) AKR1B1NLRP3MTNR1AMTNR1BIDO1
SCHEMBL31336079 0.82 LOXL2 (0.56) AKR1B1NLRP3MTNR1AMTNR1BIDO1
SCHEMBL31511816 0.81 LOXL2 (0.55) AKR1B1NLRP3MTNR1AMTNR1BIDO1
Water SCHEMBL30025993 0.81 LOXL2 (0.55) AKR1B1NLRP3MTNR1AMTNR1BIDO1
Indole-2-Carboxylic Acid SCHEMBL10746962 0.81 KDM4E (0.65) IDO1KDM4EMAPTDAOHPGD
SCHEMBL1576841 0.76 POLB (0.46) AKR1B1NLRP3MTNR1AMTNR1BIDO1
Indole SCHEMBL3662699 0.76 TRPA1 (0.50) AKR1B1NLRP3MTNR1AMTNR1BIDO1
SCHEMBL27697662 0.76 NLRP3 (0.50) AKR1B1NLRP3MTNR1AMTNR1BIDO1
SCHEMBL29396052 0.76 AKR1B1 (0.49) AKR1B1NLRP3MTNR1AMTNR1BIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017380-A1 TOPICAL NON-STEROIDAL ANTI-INFLAMMATORY DRUG COMPOSITION Biocontrol Incorporated (US) 2000-07-12 EP claimed
WO-1999015165-A1 TOPICAL NON-STEROIDAL ANTI-INFLAMMATORY DRUG COMPOSITION BIOCONTROL INCORPORATED (GB) 1999-04-01 WO claimed
US-5888523-A TREATING MUCOSAL, EPITHELIAL INFLAMMATORY DISORDERS TOPICALLY WITH A NON-STEROIDAL ANTIINFLAMMATORY IN A CARRIER OF A CELLULOSTIC POLYMER, AN ORGANIC ACID, AND WATER; TREATS PAIN ASSOCIATED WITH VULVAR VESTIBULITIS BIOCONTROL, INC. (US) 1999-03-30 US claimed
US-6929805-B2 For oral administration comprising an analgesic with rapid onset of action and at least one systemically acting analgesic with sustained action, such as a combination of benzocaine and acetylsalicylic acid (ASA) BAYER AKTIENGESELLSCHAFT (DE) 2005-08-16 US disclosed
CN-1177589-C Analgesic combination 2004-12-01 CN disclosed
US-20010002999-A1 ANALGESIC COMBINATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2001-06-07 US disclosed
EP-1017380-A1 TOPICAL NON-STEROIDAL ANTI-INFLAMMATORY DRUG COMPOSITION Biocontrol Incorporated (US) 2000-07-12 EP disclosed
CN-1252725-A Analgesic combination BAYER AG (DE) 2000-05-10 CN disclosed
WO-1999015165-A1 TOPICAL NON-STEROIDAL ANTI-INFLAMMATORY DRUG COMPOSITION BIOCONTROL INCORPORATED (GB) 1999-04-01 WO disclosed
US-5888523-A TREATING MUCOSAL, EPITHELIAL INFLAMMATORY DISORDERS TOPICALLY WITH A NON-STEROIDAL ANTIINFLAMMATORY IN A CARRIER OF A CELLULOSTIC POLYMER, AN ORGANIC ACID, AND WATER; TREATS PAIN ASSOCIATED WITH VULVAR VESTIBULITIS BIOCONTROL, INC. (US) 1999-03-30 US disclosed