SCHEMBL9429151

SCHEMBL9429151

CC(Oc1cccc(-c2[nH]ncc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.50
PTGIR P43119 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
NR4A2 P43354 4/20 0.40
RXRA P19793 2/20 0.40
FABP3 P05413 1/20 0.40
RXRB P28702 1/20 0.40
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL9429016 0.88 FABP4 (0.48) FABP4PTGIRALDH1A1HPGDKDM4E
SCHEMBL9428386 0.85 FABP4 (0.68) FABP4PTGIRALDH1A1HPGDKDM4E
SCHEMBL9428414 0.85 KDM4E (0.55) FABP4PTGIRALDH1A1HPGDKDM4E
SCHEMBL9428337 0.83 FABP4 (0.73) FABP4PTGIRALDH1A1HPGDKDM4E
SCHEMBL9428471 0.81 FABP4 (0.50) FABP4PTGIRALDH1A1HPGDKDM4E
SCHEMBL9428176 0.80 FABP4 (0.49) FABP4PTGIRALDH1A1HPGDKDM4E
SCHEMBL9429123 0.80 KDM4E (0.53) FABP4PTGIRALDH1A1HPGDKDM4E
SCHEMBL9428820 0.74 KDM4E (0.48) FABP4PTGIRALDH1A1HPGDKDM4E
SCHEMBL9127459 0.71 KDM4E (0.59) FABP4ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9430036 0.70 FABP4 (0.43) FABP4PTGIRALDH1A1HPGDKDM4E

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