SCHEMBL9311697

SCHEMBL9311697

C=Cc1cccc(CC)c1CCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
GPR84 Q9NQS5 1/20 0.41
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
SAE1 Q9UBE0 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
KCNH2 Q12809 2/20 0.40
F7 P08709 3/20 0.39
F3 P13726 3/20 0.39
MMP2 P08253 2/20 0.39

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
SCHEMBL10899472 1.00 THRA (0.43) THRATHRBGPR84BIDMCL1
Ethane SCHEMBL10484750 0.98 THRA (0.43) THRATHRBGPR84BIDMCL1
SCHEMBL9311747 0.93 THRA (0.36) THRATHRBGPR84BIDMCL1
SCHEMBL18568265 0.92 LIPG (0.45) THRATHRBGPR84BIDMCL1
SCHEMBL27498333 0.92 LIPG (0.45) THRATHRBGPR84BIDMCL1
SCHEMBL28297914 0.92 LIPG (0.45) THRATHRBGPR84BIDMCL1
SCHEMBL18568266 0.90 THRA (0.42) THRATHRBGPR84BIDMCL1
SCHEMBL8741681 0.89 THRA (0.41) THRATHRBGPR84BIDMCL1
SCHEMBL10534629 0.88 KCNH2 (0.46) THRATHRBGPR84LIPGKCNH2
SCHEMBL10532769 0.88 KCNH2 (0.46) THRATHRBGPR84LIPGKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326489-A Sulfonated polymer NIPPON SHOKUBAI CO., LTD. (JP) 1994-07-05 US disclosed
EP-0523300-B1 Electrorheological fluids NIPPON CATALYTIC CHEM IND (JP) 1994-01-19 EP disclosed
EP-0523300-A1 Electrorheological fluids NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) 1993-01-20 EP disclosed