SCHEMBL9628150

SCHEMBL9628150

CCCOc1cc(OC(C)=O)c2ccccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
CNR1 P21554 3/20 0.45
CNR2 P34972 3/20 0.45
TSHR P16473 1/20 0.43
PTGS2 P35354 8/20 0.41
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
NLRP1 Q9C000 1/20 0.39
CYP2C9 P11712 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL9627912 0.93 HTT (0.48) HTTCNR1CNR2TSHRPTGS2
SCHEMBL9628567 0.91 CNR1 (0.48) HTTCNR1CNR2PTGS2MAPT
SCHEMBL9628123 0.88 HTT (0.51) HTTTSHRPTGS2CASP3CASP7
SCHEMBL9628336 0.86 CNR1 (0.46) HTTCNR1CNR2CASP3CASP7
SCHEMBL9627873 0.86 HTT (0.60) HTTCNR1CNR2TSHRPTGS2
SCHEMBL9628323 0.81 HTT (0.54) HTTCNR1CNR2TSHRMAPT
SCHEMBL9629380 0.80 HTT (0.55) HTTTSHRPTGS2SLC22A6MAPT
SCHEMBL9627504 0.79 SLC2A1 (0.44) CNR1CNR2CASP3CASP7CASP9
SCHEMBL9628363 0.79 HTT (0.55) HTTCNR1CNR2TSHRPTGS2
SCHEMBL9628040 0.79 HTT (0.58) HTTCNR1CNR2TSHRPTGS2

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