SCHEMBL9628145

SCHEMBL9628145

CCOc1cc(OC(C)=O)c2cc(Br)ccc2c1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
HTT P42858 1/20 0.43
TSHR P16473 4/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.39
CFD P00746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ABCB11 O95342 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRB2 P47870 1/20 0.36
POLB P06746 1/20 0.36
AR P10275 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 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
SCHEMBL9627507 0.85 HTT (0.48) HTTTSHRHPGDCYP3A4KDM4E
SCHEMBL9627790 0.85 HTT (0.47) CA12CA9HTTTSHRCFD
SCHEMBL9628542 0.84 HTT (0.43) HTTTSHRCYP3A4KDM4EABCB11
SCHEMBL9628176 0.84 ABCB11 (0.56) HTTTSHRHPGDCYP3A4KDM4E
SCHEMBL9628598 0.83 HTT (0.63) HTTTSHRCYP3A4KDM4EHSD17B10
SCHEMBL9627612 0.82 HTT (0.45) HTTTSHRCYP3A4ABCB11MEN1
SCHEMBL9628306 0.81 HTT (0.47) HTTTSHRCFDKDM4EHSD17B10
SCHEMBL9628275 0.80 HTT (0.48) HTTTSHRHPGDCYP3A4KDM4E
SCHEMBL9627481 0.80 HTT (0.48) HTTTSHRHPGDCYP3A4KDM4E
SCHEMBL9627392 0.79 HTT (0.45) HTTTSHRHPGDCFDKDM4E

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