SCHEMBL8499431

SCHEMBL8499431

CCCc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 2/20 0.53
ENPP1 P22413 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
KMT2A Q03164 4/20 0.45
GAA P10253 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CNR2 P34972 1/20 0.43
GFER P55789 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CA2 P00918 1/20 0.41
ALPL P05186 2/20 0.41
APP P05067 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL8499306 0.89 ALPI (0.50) ALPIFFAR4KMT2AGAAALDH1A1
SCHEMBL3842869 0.87 GAA (0.45) ALPIKMT2AGAAALDH1A1MEN1
SCHEMBL3210615 0.86 GFER (0.55) ALPIENPP1KMT2AGAAALDH1A1
SCHEMBL3201408 0.86 ENPP1 (0.50) ALPIENPP1KMT2AGAAALDH1A1
SCHEMBL8502392 0.82 ALPI (0.47) ALPIENPP1FFAR4KMT2AGAA
SCHEMBL6937937 0.81 GAA (0.50) FFAR4KMT2AGAAALDH1A1MEN1
SCHEMBL8503123 0.80 FFAR4 (0.44) ALPIFFAR4KMT2AGAAALDH1A1
SCHEMBL3212332 0.80 ALDH1A1 (0.48) ALPIENPP1FFAR4KMT2AGAA
SCHEMBL8499435 0.79 MEN1 (0.46) ALPIFFAR4KMT2AGAAALDH1A1
SCHEMBL10180646 0.79 HTT (0.51) ALPIENPP1KMT2AGAAALDH1A1

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
EP-0956312-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR Corporation (JP) 1999-11-17 EP disclosed
WO-1998033836-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR CORPORATION (JP) 1998-08-06 WO disclosed