SCHEMBL9511340

SCHEMBL9511340

CCCCCCCCCCCCOc1scc(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.38
ESR1 P03372 3/20 0.35
TSHR P16473 2/20 0.34
PLA2G2A P14555 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
LTA4H P09960 2/20 0.33
PLA2G4B P0C869 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL14228403 0.71 CYP3A4 (0.33) TSHRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9453080 0.68 NR5A1 (0.39) NR5A1ESR1TSHRPLA2G2ATP53
SCHEMBL721815 0.68 ESR1 (0.40) NR5A1ESR1TSHRPLA2G2ATP53
SCHEMBL15422818 0.68 ESR1 (0.40) NR5A1ESR1TSHRPLA2G2ATP53
SCHEMBL19809502 0.68 ESR1 (0.40) NR5A1ESR1TSHRPLA2G2ATP53
SCHEMBL10414226 0.68 NR5A1 (0.39) NR5A1ESR1TSHRPLA2G2ATP53
SCHEMBL29414449 0.67 NR5A1 (0.41) NR5A1TSHRPLA2G2ATP53CYP3A4
SCHEMBL15298486 0.67 PLA2G2A (0.53) NR5A1TSHRPLA2G2ATP53THRA
SCHEMBL9641044 0.67 NR5A1 (0.42) NR5A1TSHRTP53CYP3A4CYP2C9
SCHEMBL17135289 0.67 NR5A1 (0.42) NR5A1TSHRTP53CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328981-B1 ELECTRICALLY CONDUCTING COATING COMPOUND, PROCESS FOR ITS PREPARATION AND ITS USE HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-13 EP disclosed
US-5213714-A Antistatic polymer films and fibers for electronics HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
US-5098529-A ELECTROCHEMICAL PROCESS FOR THE PRODUCTION OF ELECTRICALLY CONDUCTING POLY(ALKOXYTHIOPHENES) WITH CARBOXYLIC ACIDS ADDED HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-24 US disclosed
EP-0416571-A2 Process for the electrochemical preparation, with the addition of carboxylic acids, of electroconductive poly (alkoxythiophenes) HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 EP disclosed
EP-0416570-A2 Process for the electrochemical preparation, with the addition of Brönsted acids, of electroconductive poly(alkoxythiophenes) HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 EP disclosed
EP-0328983-A1 Highly soluble electrically conductive polymers HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP disclosed
EP-0328981-A2 Electrically conducting coating compound, process for its preparation and its use HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP disclosed