SCHEMBL9429016

SCHEMBL9429016

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.48
PTGIR P43119 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXRA P19793 3/20 0.38
RXRB P28702 2/20 0.38
FABP3 P05413 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR4A2 P43354 6/20 0.37

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
SCHEMBL9429151 0.88 FABP4 (0.50) FABP4PTGIRKDM4EALDH1A1HPGD
SCHEMBL9428337 0.81 FABP4 (0.73) FABP4PTGIRKDM4EALDH1A1HPGD
SCHEMBL9428386 0.72 FABP4 (0.68) FABP4PTGIRKDM4EALDH1A1HPGD
SCHEMBL9428414 0.72 KDM4E (0.55) FABP4PTGIRKDM4EALDH1A1HPGD
SCHEMBL9430036 0.71 FABP4 (0.43) FABP4PTGIRKDM4EALDH1A1HPGD
SCHEMBL9428471 0.69 FABP4 (0.50) FABP4PTGIRKDM4EALDH1A1HPGD
SCHEMBL9428176 0.69 FABP4 (0.49) FABP4PTGIRKDM4EALDH1A1HPGD
SCHEMBL9429123 0.68 KDM4E (0.53) FABP4PTGIRKDM4EALDH1A1HPGD
SCHEMBL9428927 0.66 KDM4E (0.41) FABP4KDM4EHPGDRXRARXRB
SCHEMBL9428317 0.65 FABP4 (1.00) FABP4PTGIRKDM4EALDH1A1HPGD

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