SCHEMBL9641997

SCHEMBL9641997

CCOc1c(OCC)c(OC(C)=O)c2ccccc2c1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
HTT P42858 3/20 0.51
MAPT P10636 3/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PTGER4 P35408 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
ABCB11 O95342 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
BACE1 P56817 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
CYP2C9 P11712 1/20 0.41
IDO1 P14902 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL9642812 0.93 ABCB11 (0.49) KDM4EHTTMAPTTP53GAA
SCHEMBL9641894 0.92 HTT (0.49) KDM4EHTTMAPTTP53GAA
Benzene SCHEMBL9713784 0.92 ABCB11 (0.51) KDM4EHTTMAPTTP53GAA
SCHEMBL11005599 0.91 KDM4E (0.44) KDM4EHTTMAPTTP53GAA
SCHEMBL10786269 0.91 KDM4E (0.44) KDM4EHTTMAPTTP53GAA
SCHEMBL9628321 0.90 KDM4E (0.50) KDM4EHTTMAPTTP53GAA
SCHEMBL9627611 0.90 KDM4E (0.50) KDM4EHTTMAPTTP53GAA
SCHEMBL9641835 0.90 ABCB11 (0.53) KDM4EHTTMAPTTP53GAA
SCHEMBL9642010 0.89 HTT (0.43) KDM4EHTTMAPTTP53GAA
SCHEMBL9628361 0.89 KDM4E (0.55) KDM4EHTTMAPTTP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 US disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed
EP-0107512-B1 1,4-ACYLOXYNAPHTHALENE DERIVATIVES, TOPICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR PREPARATION, AND INTERMEDIATES THEREFOR SYNTEX (U.S.A.) INC. (US) 1986-02-26 EP disclosed
US-4466981-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1984-08-21 US disclosed
EP-0107512-A1 1,4-Acyloxynaphthalene derivatives, topical compositions containing them, methods for their preparation, and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1984-05-02 EP disclosed