SCHEMBL9627469

SCHEMBL9627469

COc1c(C)c(OC)c2cc(Cl)ccc2c1OC(C)=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.83
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 0.38
POLB P06746 2/20 0.38
NLRP3 Q96P20 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL9629374 0.97 ABCB11 (0.83) ABCB11KDM4EHTTMAPTTP53
SCHEMBL9628214 0.94 ABCB11 (0.78) ABCB11KDM4EHTTMAPTTP53
Lonapalene SCHEMBL120134 0.91 ABCB11 (1.00) ABCB11KDM4EHTTMAPTTP53
SCHEMBL9642681 0.89 ABCB11 (0.97) ABCB11KDM4EHTTMAPTTP53
SCHEMBL9641851 0.89 ABCB11 (0.97) ABCB11KDM4EHTTMAPTTP53
SCHEMBL9628005 0.89 ABCB11 (0.74) ABCB11KDM4EHTTMAPTTP53
SCHEMBL9629359 0.86 ABCB11 (0.69) ABCB11KDM4EHTTMAPTTP53
SCHEMBL9629273 0.85 ABCB11 (0.59) ABCB11KDM4EHTTMAPTGAA
SCHEMBL9657679 0.84 ABCB11 (0.62) ABCB11KDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL9642000 0.82 ABCB11 (0.83) ABCB11KDM4EHTTMAPTTP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed