SCHEMBL9657202

SCHEMBL9657202

CCOc1cc(OC(=O)NC2CCCCC2)c2ccccc2c1OC(=O)NC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.55
FAAH O00519 2/20 0.50
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.48
LMNA P02545 2/20 0.46
ALOX12 P18054 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45

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
SCHEMBL9656662 0.91 EPHX1 (0.53) EPHX1FAAHRAB9AALDH1A1
SCHEMBL9658220 0.87 EPHX1 (0.55) EPHX1FAAHRAB9AALDH1A1HPGD
SCHEMBL9656686 0.86 RAB9A (0.56) EPHX1FAAHRAB9AALDH1A1GAA
SCHEMBL9656674 0.83 ALDH1A1 (0.60) EPHX1FAAHRAB9AALDH1A1
SCHEMBL9658347 0.80 NCEH1 (0.48) ALDH1A1GAAPOLBKMT2A
SCHEMBL9658477 0.79 KMT2A (0.43) EPHX1FAAHRAB9AALDH1A1LMNA
SCHEMBL9657148 0.79 ALDH1A1 (0.53) EPHX1FAAHRAB9AALDH1A1KMT2A
SCHEMBL9656815 0.78 SMN1; SMN2 (0.42) ALDH1A1GAALMNAALOX12SMN1; SMN2
SCHEMBL9656632 0.77 KMT2A (0.49) FAAHRAB9AALDH1A1GAALMNA
SCHEMBL9656605 0.77 NCEH1 (0.44) EPHX1ALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed