SCHEMBL6608385

SCHEMBL6608385

CC=[C]Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
MAOB P27338 1/20 0.40
CALM1 P0DP23 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 3/20 0.37
TRPA1 O75762 2/20 0.36
IDO1 P14902 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL27298897 1.00 TSHR (0.42) TSHRTP53MAOBCALM1TDP1
SCHEMBL5573317 0.79 MAOB (0.43) TSHRTP53MAOBCALM1TDP1
SCHEMBL4340623 0.76 TP53 (0.39) TSHRTP53MAOBCALM1TDP1
SCHEMBL2241623 0.73 MAOB (0.50) TSHRTP53MAOBCALM1ALDH1A1
SCHEMBL9853133 0.73 MAOB (0.40) TSHRTP53MAOBCALM1ALDH1A1
SCHEMBL1195145 0.73 MAOB (0.40) TSHRTP53MAOBCALM1ALDH1A1
SCHEMBL2241624 0.73 MAOB (0.50) TSHRTP53MAOBCALM1ALDH1A1
SCHEMBL8396961 0.73 TP53 (0.41) TP53MAOBCALM1IDO1
SCHEMBL18245119 0.71 KCNH2 (0.40) TSHRTP53MAOBCALM1TDP1
SCHEMBL97491 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US claimed
EP-1161222-A1 METHOD OF TREATING HAIR LOSS USING NON-IMMUNOSUPPRESSIVE COMPOUNDS UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2001-12-12 EP claimed
WO-2000051558-A1 METHOD OF TREATING HAIR LOSS USING NON-IMMUNOSUPPRESSIVE COMPOUNDS THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2000-09-08 WO claimed
CN-105593234-B Novel organopolysiloxane, the surface conditioning agent comprising it, the resin combination comprising it and their gel-like product or cured product 道康宁东丽株式会社 2018-10-26 CN disclosed
CN-105593234-A Novel organopolysiloxane, surface treatment agent comprising the same, resin composition comprising the same, and gelatinous product or cured product thereof DOW CORNING TORAY CO LTD 2016-05-18 CN disclosed
EP-1484328-A1 Derivatives of quinolyl-propyl-piperidine and their use as antimicrobial agents Aventis Pharma S.A. (FR) 2004-12-08 EP disclosed
EP-1218370-B1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-12-08 EP disclosed
EP-1218370-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2002-07-03 EP disclosed
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed