SCHEMBL9628336

SCHEMBL9628336

CCCOc1cc(OCCC)c2ccccc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
CNR2 P34972 3/20 0.46
CASP7 P55210 2/20 0.43
CASP3 P42574 1/20 0.43
CASP9 P55211 1/20 0.43
IDO1 P14902 1/20 0.42
TLR8 Q9NR97 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL9627504 0.92 SLC2A1 (0.44) CNR1CNR2CASP7CASP3CASP9
SCHEMBL9629441 0.91 CYP2C9 (0.47) CNR1CNR2CASP7CASP3CASP9
SCHEMBL9629330 0.88 MEN1 (0.49) CNR1CNR2TLR8MEN1KMT2A
SCHEMBL9628492 0.88 MEN1 (0.49) CNR1CNR2TLR8MEN1KMT2A
SCHEMBL9657777 0.88 LMNA (0.47) CNR1CNR2CASP7IDO1TLR8
SCHEMBL9628150 0.86 HTT (0.49) CNR1CNR2CASP7CASP3CASP9
SCHEMBL9629388 0.85 CASP3 (0.49) CASP7CASP3CASP9MEN1KMT2A
SCHEMBL9627447 0.84 MEN1 (0.46) CNR1CNR2CASP7CASP3CASP9
SCHEMBL17912856 0.83 SLC2A1 (0.52) CNR1CNR2CASP7CASP3CASP9
SCHEMBL8762616 0.82 PTGS1 (0.44) CNR1CNR2CASP7CASP3CASP9

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