SCHEMBL9642010

SCHEMBL9642010

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ELANE P08246 9/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PRTN3 P24158 1/20 0.38
PTGER4 P35408 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ABCB11 O95342 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL9642036 0.92 ELANE (0.42) ELANEPRTN3PTGER4CYP1A2CYP2D6
SCHEMBL9641997 0.89 KDM4E (0.51) HTTMAPTKDM4ETP53GAA
SCHEMBL10706593 0.85 ELANE (0.40) HTTMAPTKDM4ETP53GAA
SCHEMBL9643471 0.84 ABCB11 (0.59) HTTMAPTKDM4ETP53GAA
SCHEMBL9641671 0.84 ABCB11 (0.59) HTTMAPTKDM4ETP53GAA
SCHEMBL9642812 0.83 ABCB11 (0.49) HTTMAPTKDM4ETP53GAA
SCHEMBL9641737 0.83 ABCB11 (0.53) HTTMAPTKDM4ETP53GAA
SCHEMBL9641894 0.82 HTT (0.49) HTTMAPTKDM4ETP53GAA
Benzene SCHEMBL9713784 0.82 ABCB11 (0.51) HTTMAPTKDM4ETP53GAA
SCHEMBL11005599 0.81 KDM4E (0.44) HTTMAPTKDM4ETP53GAA

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 4 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