SCHEMBL9629441

SCHEMBL9629441

CCCCOc1cc(OCCCC)c2ccccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
SLC2A1 P11166 2/20 0.46
KCNH2 Q12809 3/20 0.45
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
TLR8 Q9NR97 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.41
HTR1B P28222 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL9628492 0.93 MEN1 (0.49) CYP2C9CNR1CNR2SLC2A1TLR8
SCHEMBL9629330 0.93 MEN1 (0.49) CYP2C9CNR1CNR2SLC2A1TLR8
SCHEMBL17912856 0.92 SLC2A1 (0.52) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL9628336 0.91 CNR1 (0.46) CYP2C9CNR1CNR2SLC2A1KCNH2
SCHEMBL9627447 0.89 MEN1 (0.46) CYP2C9CNR1CNR2SLC2A1L3MBTL1
SCHEMBL29700322 0.88 KCNH2 (0.47) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL9654902 0.88 KCNH2 (0.47) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL17912836 0.88 LTA4H (0.53) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL17912867 0.87 HTT (0.49) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL9627912 0.87 HTT (0.48) CYP2C9CNR1CNR2SLC2A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed