SCHEMBL9628176

SCHEMBL9628176

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.56
HTT P42858 3/20 0.43
TSHR P16473 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RORC P51449 1/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9713395 0.88 ABCB11 (0.52) ABCB11HTTTSHRHPGDMEN1
SCHEMBL9627901 0.88 ABCB11 (0.55) ABCB11HTTTSHRLMNAHPGD
SCHEMBL9627602 0.86 ABCB11 (0.46) ABCB11HTTTSHRLMNAHPGD
SCHEMBL9713731 0.86 ABCB11 (0.52) ABCB11HTTLMNAHPGDCYP3A4
SCHEMBL9627507 0.85 HTT (0.48) ABCB11HTTTSHRLMNAHPGD
SCHEMBL9629306 0.85 ABCB11 (0.68) ABCB11HTTTSHRLMNAHPGD
SCHEMBL9627723 0.84 ABCB11 (0.43) ABCB11HTTTSHRLMNAHPGD
SCHEMBL9628145 0.84 CA12 (0.46) ABCB11HTTTSHRLMNAHPGD
SCHEMBL9628542 0.84 HTT (0.43) ABCB11HTTTSHRCYP3A4MEN1
SCHEMBL9643337 0.83 ABCB11 (0.70) ABCB11HTTTSHRLMNAHPGD

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-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282056-A2 Naphthalene 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