SCHEMBL9628636

SCHEMBL9628636

CCCOc1c(C)c(OC(C)=O)c2ccccc2c1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
PTPN1 P18031 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PTGER4 P35408 1/20 0.37
PTGS2 P35354 2/20 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
SCHEMBL9627763 0.93 HTT (0.47) KDM4EHTTMAPTHSD17B10TP53
SCHEMBL9628487 0.91 HTT (0.49) KDM4EHTTMAPTHSD17B10TP53
SCHEMBL9629352 0.91 HTT (0.46) KDM4EHTTMAPTHSD17B10TP53
SCHEMBL9627934 0.90 HTT (0.44) KDM4EHTTMAPTHSD17B10TP53
SCHEMBL9628603 0.90 HTT (0.48) KDM4EHTTMAPTHSD17B10TP53
SCHEMBL9628321 0.88 KDM4E (0.50) KDM4EHTTMAPTHSD17B10TP53
SCHEMBL9642043 0.85 ABCB11 (0.50) KDM4EHTTMAPTHSD17B10TP53
SCHEMBL9627611 0.84 KDM4E (0.50) KDM4EHTTMAPTHSD17B10TP53
SCHEMBL9629372 0.84 KDM4E (0.50) KDM4EHTTMAPTHSD17B10TP53
SCHEMBL9627542 0.84 KDM4E (0.52) KDM4EHTTMAPTHSD17B10TP53

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