SCHEMBL9627481

SCHEMBL9627481

CCOc1cc(OC(C)=O)c2ccc(C)cc2c1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
PTGER4 P35408 1/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.39
PTPN1 P18031 1/20 0.39
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNMA1 Q12791 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 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 0.94 HTT (0.48) HTTPTGER4TSHRCYP3A4ALDH1A1
SCHEMBL9628711 0.88 MAPT (0.47) HTTPTGER4TSHRCYP3A4ALDH1A1
SCHEMBL9627575 0.86 HTT (0.41) HTTPTGER4TSHRCYP3A4ALDH1A1
SCHEMBL9628598 0.84 HTT (0.63) HTTTSHRCYP3A4ALDH1A1NPC1
SCHEMBL9628269 0.84 HTT (0.51) HTTTSHRALDH1A1NPC1RAB9A
SCHEMBL9628275 0.84 HTT (0.48) HTTTSHRCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL9627612 0.80 HTT (0.45) HTTTSHRCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL9628409 0.80 HTT (0.56) HTTTSHRCYP3A4ALDH1A1NPC1
SCHEMBL9628176 0.80 ABCB11 (0.56) HTTTSHRCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL9628542 0.80 HTT (0.43) HTTPTGER4TSHRCYP3A4ALDH1A1

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