SCHEMBL9628487

SCHEMBL9628487

CCCOc1c(C)c(OC(C)=O)c2ccccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
PTPN1 P18031 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 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
SCHEMBL9628636 0.91 KDM4E (0.48) HTTKDM4EGAAMAPTTP53
SCHEMBL9628603 0.90 HTT (0.48) HTTKDM4EGAAMAPTTP53
SCHEMBL9629300 0.89 KDM4E (0.38) HTTKDM4EGAAMAPTTP53
SCHEMBL9628364 0.88 KDM4E (0.51) HTTKDM4EGAAMAPTTP53
SCHEMBL9627763 0.84 HTT (0.47) HTTKDM4EGAAMAPTTP53
SCHEMBL10644653 0.83 CREB1 (0.37) HTTKDM4EGAAMAPTALDH1A1
SCHEMBL9629352 0.83 HTT (0.46) HTTKDM4EGAAMAPTTP53
SCHEMBL9627945 0.82 KDM4E (0.54) HTTKDM4EGAAMAPTTP53
SCHEMBL9627934 0.82 HTT (0.44) HTTKDM4EGAAMAPTTP53
SCHEMBL24596049 0.81 KDM4E (0.53) HTTKDM4EGAAMAPTTP53

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