SCHEMBL2929759

SCHEMBL2929759

CCCCCCc1c(CCC)cccc1C(C)(C)c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 4/20 0.45
MCL1 Q07820 4/20 0.45
KAT8 Q9H7Z6 3/20 0.45
BCL2L1 Q07817 3/20 0.45
BAK1 Q16611 3/20 0.45
EP300 Q09472 2/20 0.45
KAT5 Q92993 2/20 0.45
SAE1 Q9UBE0 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
LIPG Q9Y5X9 1/20 0.41
F7 P08709 3/20 0.40
F3 P13726 3/20 0.40
MMP2 P08253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ECE1 P42892 1/20 0.40

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
SCHEMBL984451 0.96 BID (0.49) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL984883 0.96 BID (0.49) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL983311 0.96 BID (0.49) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL983320 0.96 BID (0.49) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL985278 0.96 BID (0.49) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL984235 0.96 BID (0.49) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL983696 0.94 BID (0.47) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL981386 0.90 BID (0.41) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL983218 0.90 ALDH1A1 (0.43) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL982239 0.84 BID (0.50) BIDMCL1KAT8BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2147909-A1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2010-01-27 EP disclosed