SCHEMBL9627447

SCHEMBL9627447

CCCCCCOc1cc(OCC)c(O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
HTT P42858 1/20 0.46
SLC2A1 P11166 1/20 0.46
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL9629330 0.95 MEN1 (0.49) MEN1KMT2ACNR1CNR2HTT
SCHEMBL9628492 0.95 MEN1 (0.49) MEN1KMT2ACNR1CNR2HTT
SCHEMBL9629441 0.89 CYP2C9 (0.47) MEN1KMT2ACNR1CNR2HTT
SCHEMBL17912845 0.88 SLC2A1 (0.47) MEN1KMT2ACNR1CNR2HTT
SCHEMBL9629388 0.87 CASP3 (0.49) MEN1KMT2AHTTSLC2A1LMNA
SCHEMBL9656200 0.85 MEN1 (0.47) MEN1KMT2ACNR1CNR2HTT
SCHEMBL4129980 0.85 MEN1 (0.48) MEN1KMT2ACNR1CNR2HTT
SCHEMBL17912880 0.85 LTA4H (0.51) MEN1KMT2ACNR1CNR2HTT
SCHEMBL9628336 0.84 CNR1 (0.46) MEN1KMT2ACNR1CNR2HTT
SCHEMBL17912826 0.84 S1PR5 (0.49) MEN1KMT2ACNR1CNR2HTT

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