SCHEMBL27463142

SCHEMBL27463142

CCCCCC(C)CC(C)Cc1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
HTR1A P08908 2/20 0.39
HSPA5 P11021 1/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
CSNK1E P49674 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
CYP2D6 P10635 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
SCHEMBL27776971 0.98 TSHR (0.42) TSHRHTR1AHSPA5BIDMCL1
SCHEMBL27813140 0.98 TSHR (0.42) TSHRHTR1AHSPA5BIDMCL1
SCHEMBL294000 0.95 TSHR (0.44) TSHRHTR1AHSPA5BIDMCL1
SCHEMBL6015484 0.93 TSHR (0.45) TSHRHTR1AHSPA5BIDMCL1
SCHEMBL27813191 0.92 TSHR (0.44) TSHRHTR1AHSPA5BIDMCL1
SCHEMBL27813184 0.92 TSHR (0.44) TSHRHTR1AHSPA5BIDMCL1
SCHEMBL27813179 0.92 TSHR (0.44) TSHRHTR1AHSPA5BIDMCL1
SCHEMBL27980703 0.92 TSHR (0.44) TSHRHTR1AHSPA5BIDMCL1
SCHEMBL27833312 0.92 TSHR (0.44) TSHRHTR1AHSPA5BIDMCL1
SCHEMBL27833253 0.92 TSHR (0.44) TSHRHTR1AHSPA5BIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1159131-A Electroluminescent devices BAYER AG (DE) 1997-09-10 CN claimed
CN-1159131-A Electroluminescent devices BAYER AG (DE) 1997-09-10 CN disclosed