SCHEMBL9808765

SCHEMBL9808765

COc1cc(CC(=O)NC2CCCCCCC2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.65
GFER P55789 1/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 3/20 0.59
PTPN7 P35236 2/20 0.59
DUSP3 P51452 2/20 0.59
HPGD P15428 2/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALOX15 P16050 1/20 0.58
GAA P10253 2/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
EPHX1 P07099 1/20 0.55

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
SCHEMBL2976977 1.00 EPHX2 (0.65) EPHX2GFERNPC1RAB9AALDH1A1
SCHEMBL2960830 0.93 EPHX2 (0.56) EPHX2GFERNPC1RAB9AALDH1A1
SCHEMBL2960831 0.93 EPHX2 (0.56) EPHX2GFERNPC1RAB9AALDH1A1
SCHEMBL2961758 0.93 EPHX2 (0.56) EPHX2GFERNPC1RAB9AALDH1A1
SCHEMBL2961754 0.93 EPHX2 (0.56) EPHX2GFERNPC1RAB9AALDH1A1
SCHEMBL2976543 0.90 EPHX2 (0.53) EPHX2GFERNPC1RAB9AALDH1A1
SCHEMBL2973663 0.90 EPHX2 (0.53) EPHX2GFERNPC1RAB9AALDH1A1
SCHEMBL23417659 0.89 EPHX2 (0.68) EPHX2NPC1RAB9AALDH1A1HPGD
SCHEMBL2977055 0.89 EPHX2 (0.52) EPHX2GFERALDH1A1PTPN7DUSP3
SCHEMBL2977052 0.89 EPHX2 (0.52) EPHX2GFERALDH1A1PTPN7DUSP3

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-5013759-A Phenylacetic acid amide or thioamide derivatives THE PROCTER & GAMBLE COMPANY (US) 1991-05-07 US disclosed
EP-0206609-A1 Compounds and compositions having anti-inflammatory and analgesic activity THE PROCTER & GAMBLE COMPANY (US) 1986-12-30 EP disclosed