SCHEMBL9224862

SCHEMBL9224862

CC1(C)Oc2ccc(C#N)cc2[C@H](N(CC(=O)O)c2ccc(F)c(C(=O)OCc3ccccc3)c2)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
ALOX15 P16050 1/20 0.57
ABCB1 P08183 11/20 0.52
KDM4E B2RXH2 1/20 0.47
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNE1 P15382 3/20 0.45
KCNQ1 P51787 3/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
KCND3 Q9UK17 1/20 0.45

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
SCHEMBL9224866 1.00 CYP3A4 (0.57) CYP3A4ALOX15ABCB1KDM4EABCC8
SCHEMBL8614101 0.87 KDM4E (0.54) CYP3A4ALOX15ABCB1KDM4EABCC8
SCHEMBL9230241 0.87 KDM4E (0.54) CYP3A4ALOX15ABCB1KDM4EABCC8
SCHEMBL8615116 0.82 KDM4E (0.62) CYP3A4ALOX15ABCB1KDM4EABCC8
SCHEMBL8641940 0.82 KDM4E (0.62) CYP3A4ALOX15ABCB1KDM4EABCC8
SCHEMBL8611179 0.82 KDM4E (0.62) CYP3A4ALOX15ABCB1KDM4EABCC8
SCHEMBL8611162 0.82 KDM4E (0.62) CYP3A4ALOX15ABCB1KDM4EABCC8
SCHEMBL9230989 0.81 KCNE1 (0.49) CYP3A4ALOX15ABCB1KDM4EABCC8
SCHEMBL8609660 0.81 KDM4E (0.59) CYP3A4ALOX15ABCB1KDM4EABCC8
SCHEMBL9224973 0.81 KDM4E (0.59) CYP3A4ALOX15ABCB1KDM4EABCC8

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
EP-0648758-A1 4-Arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 EP claimed
EP-0648758-A1 4-Arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 EP disclosed