SCHEMBL9629440

SCHEMBL9629440

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NCEH1 Q6PIU2 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
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL9627780 0.90 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627542 0.90 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL12708461 0.86 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9628241 0.85 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627596 0.83 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9642043 0.82 ABCB11 (0.50) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9628636 0.82 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9713704 0.82 DGKA (0.41) KDM4ESMN1; SMN2MEN1KMT2ACNR2
SCHEMBL9656619 0.80 ALOX5 (0.41) KDM4EALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL9628603 0.79 HTT (0.48) KDM4EALDH1A1SMN1; SMN2HTTMAPT

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