SCHEMBL9657666

SCHEMBL9657666

COc1cc(O)c2cc(C)c(C)cc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.43
ALOX5 P09917 3/20 0.42
PTGS2 P35354 2/20 0.41
FASN P49327 1/20 0.40
TUBB1 Q9H4B7 2/20 0.40
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
PKM P14618 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39

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
SCHEMBL9656569 0.79 EP300 (0.47) EP300ALOX5PTGS2LMNAERN1
SCHEMBL9656536 0.79 HIF1A (0.46) EP300ALOX5PTGS2LMNAERN1
SCHEMBL9656641 0.79 ESR1 (0.40) ALOX5FASNLMNAMAPTKDM4E
SCHEMBL2024877 0.75 TUBB1 (0.47) EP300TUBB1CA1CA2TUBB4A
SCHEMBL9054405 0.75 EP300 (0.67) EP300LMNACA12CA1CA2
SCHEMBL29700325 0.75 EP300 (0.67) EP300LMNACA12CA1CA2
SCHEMBL9657079 0.75 HIF1A (0.50) EP300TUBB1CA12CA1CA2
SCHEMBL9627440 0.74 TNFSF11 (0.50) PTGS2LMNACA12CA1CA2
SCHEMBL22295272 0.73 ALDH1A1 (0.43) EP300ALOX5PTGS2LMNACA12
SCHEMBL9627649 0.73 HTT (0.50) ALOX5FASNTUBB1TUBB4ATUBB

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