SCHEMBL9656385

SCHEMBL9656385

CCCOC(=O)Oc1c(CCC)c(OC)c(OC(=O)OCCC)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 5/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.39
MAOB P27338 2/20 0.38
NCEH1 Q6PIU2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
SLC2A1 P11166 1/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
TOP2A P11388 1/20 0.34
GABRP O00591 1/20 0.34

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
SCHEMBL9656608 0.89 KDM4E (0.47) ALOX5KDM4ECYP2C9CYP1A2IDO1
SCHEMBL9656619 0.88 ALOX5 (0.41) ALOX5KDM4ECYP1A2ALDH1A1LMNA
SCHEMBL9657849 0.83 KDM4E (0.43) ALOX5KDM4ECYP2C9CYP1A2IDO1
SCHEMBL9628241 0.83 KDM4E (0.50) ALOX5KDM4ECYP2C9CYP1A2IDO1
SCHEMBL30003343 0.82 ALDH1A1 (0.52) ALOX5KDM4EALDH1A1LMNAMAOB
SCHEMBL19583364 0.82 ALDH1A1 (0.52) ALOX5KDM4EALDH1A1LMNAMAOB
SCHEMBL9656655 0.80 TSHR (0.49) KDM4ECYP2C9CYP1A2IDO1ALDH1A1
SCHEMBL9658008 0.80 ALDH1A1 (0.46) ALOX5KDM4ECYP2C9CYP1A2IDO1
SCHEMBL9657106 0.79 KDM4E (0.44) KDM4ECYP2C9CYP1A2IDO1ALDH1A1
SCHEMBL9658456 0.79 ALDH1A1 (0.45) ALOX5KDM4ECYP2C9CYP1A2IDO1

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