SCHEMBL9657148

SCHEMBL9657148

CCCOc1c(OCCC)c(OC(=O)NC2CCCCC2)c2ccccc2c1OC(=O)NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 1/20 0.53
EPHX1 P07099 4/20 0.53
FAAH O00519 2/20 0.48
KMT2A Q03164 1/20 0.45
LHCGR P22888 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
SCHEMBL9656686 0.90 RAB9A (0.56) ALDH1A1RAB9AEPHX1FAAH
SCHEMBL9658082 0.86 LMNA (0.44) ALDH1A1RAB9AFAAHKMT2A
SCHEMBL9656662 0.86 EPHX1 (0.53) ALDH1A1RAB9AEPHX1FAAH
SCHEMBL9656723 0.83 ALDH1A1 (0.60) ALDH1A1RAB9AEPHX1FAAHLHCGR
SCHEMBL9657202 0.79 EPHX1 (0.55) ALDH1A1RAB9AEPHX1FAAHKMT2A
SCHEMBL9658327 0.79 TP53 (0.38) ALDH1A1EPHX1
SCHEMBL9658262 0.78 ALDH1A1 (0.46) ALDH1A1RAB9A
SCHEMBL9657915 0.78 ALDH1A1 (0.69) ALDH1A1RAB9AEPHX1FAAHLHCGR
SCHEMBL9658477 0.76 KMT2A (0.43) ALDH1A1RAB9AEPHX1FAAHKMT2A
SCHEMBL9656286 0.76 EPHX1 (0.43) ALDH1A1RAB9AEPHX1FAAHKMT2A

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