SCHEMBL15958600

SCHEMBL15958600

CCc1cc2ccccc2c(C(C)C)c1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
NCEH1 Q6PIU2 1/20 0.36
ATM Q13315 1/20 0.35
PTPN11 Q06124 1/20 0.34
ACP1 P24666 1/20 0.34
CYP1A2 P05177 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
CTRB1 P17538 1/20 0.33
NR1I2 O75469 1/20 0.33
NQO2 P16083 1/20 0.33
MPL P40238 2/20 0.33
CTRC Q99895 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL150862 0.83 CYP2D6 (0.50) CYP2D6GPR84ATMACP1CYP1A2
SCHEMBL14295886 0.82 FABP3 (0.49) CYP2D6FABP3FABP4FABP5NCEH1
SCHEMBL11294382 0.78 CYP2D6 (0.44) CYP2D6
SCHEMBL2519857 0.77 CYP2D6 (0.48) CYP2D6GPR84NCEH1ATMACP1
SCHEMBL8743882 0.76 GPR84 (0.39) GPR84NCEH1ATMCYP1A2ALDH1A1
Ammonia Solution, Strong SCHEMBL23749119 0.76 CYP2D6 (0.47) CYP2D6GPR84NCEH1ATMACP1
SCHEMBL352743 0.76 CYP2D6 (0.47) CYP2D6FABP3FABP4FABP5NCEH1
SCHEMBL30604729 0.76 CYP2D6 (0.47) CYP2D6FABP3FABP4FABP5NCEH1
SCHEMBL29387441 0.76 CYP2D6 (0.47) CYP2D6FABP3FABP4FABP5NCEH1
SCHEMBL20153658 0.75 GPR84 (0.38) GPR84NCEH1ATMCYP1A2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8808965-B2 Pattern forming method, pattern, chemical amplification resist composition and resist film FUJIFILM CORPORATION (JP) 2014-08-19 US disclosed