SCHEMBL9628087

SCHEMBL9628087

CCCCCCCCCCCCOc1cc(OC(C)=O)c2ccccc2c1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
PTGS2 P35354 5/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
PTPN11 Q06124 1/20 0.43

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
SCHEMBL9627400 1.00 HTT (0.56) HTTCNR1CNR2PTGS2MEN1
SCHEMBL9627747 0.99 HTT (0.57) HTTCNR1CNR2PTGS2MEN1
SCHEMBL9660327 0.96 HTT (0.50) HTTCNR1CNR2PTGS2MEN1
SCHEMBL9658121 0.95 HTT (0.52) HTTCNR1CNR2PTGS2MEN1
SCHEMBL9628040 0.95 HTT (0.58) HTTCNR1CNR2PTGS2MAPT
SCHEMBL9627568 0.91 HTT (0.52) HTTCNR1CNR2PTGS2MEN1
SCHEMBL9627873 0.91 HTT (0.60) HTTCNR1CNR2PTGS2MAPT
SCHEMBL9627803 0.90 ALOX5 (0.52) HTTCNR1CNR2MEN1MAPT
SCHEMBL9628363 0.89 HTT (0.55) HTTCNR1CNR2PTGS2MAPT
SCHEMBL9627812 0.88 MAPT (0.55) HTTCNR1CNR2PTGS2MEN1

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 8 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-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 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
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed