SCHEMBL8094594

SCHEMBL8094594

CCCCCCc1cccc(C)c1C(=O)Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.57
MCL1 Q07820 6/20 0.57
BCL2L1 Q07817 5/20 0.57
BAK1 Q16611 5/20 0.57
KAT8 Q9H7Z6 3/20 0.57
PPARA Q07869 3/20 0.57
PPARG P37231 2/20 0.57
SAE1 Q9UBE0 2/20 0.57
EP300 Q09472 2/20 0.57
KAT5 Q92993 2/20 0.57
KAT2A Q92830 1/20 0.57
KAT2B Q92831 1/20 0.57
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
MMP2 P08253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
ECE1 P42892 1/20 0.50
SGMS1 Q86VZ5 1/20 0.50

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
SCHEMBL8100825 1.00 BID (0.57) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8098414 1.00 BID (0.57) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8094459 0.98 BID (0.55) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8094015 0.94 BID (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL7420497 0.87 ITGB1 (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL16250350 0.86 BID (0.72) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8096083 0.84 BID (0.57) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8100395 0.84 BID (0.57) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8096206 0.84 BID (0.57) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9342117 0.84 BID (0.69) BIDMCL1BCL2L1BAK1KAT8

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
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed