SCHEMBL9428337

SCHEMBL9428337

O=C(O)COc1cccc(-c2[nH]ncc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 9/20 0.73
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
PTGIR P43119 5/20 0.55
FABP3 P05413 2/20 0.47
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
FABP5 Q01469 3/20 0.45
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL30398835 0.84 FABP4 (1.00) FABP4MEN1KMT2AKDM4EALDH1A1
SCHEMBL9428317 0.84 FABP4 (1.00) FABP4MEN1KMT2AKDM4EALDH1A1
SCHEMBL8066970 0.84 FABP4 (0.79) FABP4MEN1KMT2AKDM4EALDH1A1
SCHEMBL9428515 0.84 MEN1 (0.82) FABP4MEN1KMT2AKDM4EALDH1A1
SCHEMBL9429151 0.83 FABP4 (0.50) FABP4MEN1KMT2AKDM4EALDH1A1
SCHEMBL9429016 0.81 FABP4 (0.48) FABP4MEN1KMT2AKDM4EALDH1A1
SCHEMBL14528476 0.79 FABP4 (0.77) FABP4MEN1KMT2AKDM4EALDH1A1
SCHEMBL9428853 0.79 KDM4E (0.76) FABP4MEN1KMT2AKDM4EALDH1A1
SCHEMBL674739 0.78 KDM4E (1.00) FABP4MEN1KMT2AKDM4EALDH1A1
SCHEMBL29640642 0.78 KDM4E (1.00) FABP4MEN1KMT2AKDM4EALDH1A1

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
US-5348969-A Oxazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1994-09-20 US claimed
US-5348969-A Oxazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1994-09-20 US disclosed