SCHEMBL9504744

SCHEMBL9504744

CCCCCCCCC=Cc1ccc(C(=O)N(CCCC(=O)O)OC2CCCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 4/20 0.35
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
DUSP3 P51452 2/20 0.35
LMNA P02545 2/20 0.35
FABP4 P15090 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PTPN7 P35236 1/20 0.35
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.35
FABP3 P05413 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL9504734 1.00 EPHX2 (0.37) EPHX2MEN1KMT2AALDH1A1F7
SCHEMBL9508922 0.90 OXER1 (0.35) EPHX2MEN1KMT2AALDH1A1F7
SCHEMBL9508940 0.90 OXER1 (0.35) EPHX2MEN1KMT2AALDH1A1F7
SCHEMBL10876940 0.81 PPARG (0.43) EPHX2KMT2AF7F3PPARG
SCHEMBL9508230 0.80 PPARG (0.43) KMT2AALDH1A1F7F3PPARG
SCHEMBL9508227 0.80 PPARG (0.43) KMT2AALDH1A1F7F3PPARG
SCHEMBL9508843 0.80 PPARG (0.45) KMT2AALDH1A1F7F3PPARG
SCHEMBL9504795 0.80 PPARG (0.45) KMT2AALDH1A1F7F3PPARG
SCHEMBL11020950 0.80 PPARG (0.45) KMT2AALDH1A1F7F3PPARG
SCHEMBL9508849 0.80 PPARG (0.45) KMT2AALDH1A1F7F3PPARG

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-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed