SCHEMBL9657252

SCHEMBL9657252

CCCOc1c(OCCC)c(OC(=O)Nc2ccccc2)c2ccccc2c1OC(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.50
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9658440 0.88 RAB9A (0.52) FAAHALDH1A1RAB9AHPGDMAPT
SCHEMBL9659430 0.85 FAAH (0.45) FAAHALDH1A1RAB9AHPGDMAPT
SCHEMBL9656310 0.84 FAAH (0.46) FAAHALDH1A1RAB9AHPGDMAPT
SCHEMBL9659077 0.84 FAAH (0.46) FAAHALDH1A1RAB9AHPGDMAPT
SCHEMBL9658262 0.84 ALDH1A1 (0.46) ALDH1A1RAB9AGAANPC1LMNA
SCHEMBL9656504 0.81 FAAH (0.50) FAAHRAB9AMEN1KMT2AGAA
SCHEMBL9656286 0.81 EPHX1 (0.43) FAAHALDH1A1RAB9AMAPTMEN1
SCHEMBL9654984 0.80 ALDH1A1 (0.61) ALDH1A1RAB9AHPGDMAPTMEN1
SCHEMBL11040076 0.79 NPSR1 (0.59) FAAHALDH1A1RAB9AHPGDMAPT
SCHEMBL9658242 0.79 NCEH1 (0.53) HTTTSHR

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