SCHEMBL9628275

SCHEMBL9628275

CCOc1cc(OC(C)=O)c2cc(C)c(C)cc2c1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
PTPN1 P18031 2/20 0.41
POLB P06746 1/20 0.39
GAA P10253 4/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 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
SCHEMBL9713846 0.88 HTT (0.46) HTTPTPN1POLBGAAMAPT
SCHEMBL9713982 0.87 HTT (0.56) HTTTSHRPTPN1POLBGAA
SCHEMBL9627507 0.84 HTT (0.48) HTTTSHRCYP3A4PTPN1GAA
SCHEMBL9627481 0.84 HTT (0.48) HTTTSHRCYP3A4PTPN1POLB
SCHEMBL9627484 0.83 HTT (0.51) HTTTSHRPTPN1POLBGAA
SCHEMBL9628598 0.82 HTT (0.63) HTTTSHRCYP3A4PTPN1GAA
SCHEMBL9628176 0.80 ABCB11 (0.56) HTTTSHRCYP3A4POLBGAA
SCHEMBL9628542 0.80 HTT (0.43) HTTTSHRCYP3A4PTPN1POLB
SCHEMBL9628145 0.80 CA12 (0.46) HTTTSHRCYP3A4POLBHSD17B10
SCHEMBL9657946 0.79 LMNA (0.40) HTTTSHRCYP3A4GAAHSD17B10

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