SCHEMBL9656641

SCHEMBL9656641

CCOc1cc(O)c2cc(C)c(C)cc2c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 3/20 0.36
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
FASN P49327 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALOX5 P09917 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
BACE1 P56817 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NQO1 P15559 1/20 0.33

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
SCHEMBL9656428 0.81 CSNK2A2 (0.43) ESR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9654846 0.81 CSNK2A2 (0.43) ESR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9657666 0.79 EP300 (0.43) ALDH1A1KMT2AKDM4ECYP3A4MAPT
SCHEMBL29700360 0.78 LMNA (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9657859 0.78 LMNA (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9657182 0.76 TSHR (0.44) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL9657787 0.76 HPGD (0.44) ESR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9656717 0.76 PPM1A (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9656398 0.74 MAPT (0.46) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL9658438 0.73 ADORA1 (0.43) ALDH1A1MEN1KMT2AKDM4EMAPT

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