SCHEMBL8499435

SCHEMBL8499435

CCCc1ccc(OS(=O)(=O)c2ccccc2C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
GAA P10253 1/20 0.46
ALPI P09923 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.41
HTR6 P50406 1/20 0.40
FFAR4 Q5NUL3 4/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGER1 P34995 1/20 0.37
STS P08842 1/20 0.36
FFAR1 O14842 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3842873 0.87 ESR2 (0.49) MEN1KMT2AESR1ESR2GAA
SCHEMBL8499306 0.84 ALPI (0.50) MEN1KMT2AGAAALPIFFAR4
SCHEMBL8502394 0.84 ALPI (0.41) MEN1KMT2AESR1ESR2GAA
SCHEMBL8502928 0.79 KMT2A (0.52) MEN1KMT2AESR1ESR2GAA
SCHEMBL8503123 0.79 FFAR4 (0.44) MEN1KMT2AGAAALPICYP1A2
SCHEMBL8499431 0.79 ALPI (0.53) MEN1KMT2AESR1ESR2GAA
SCHEMBL29150913 0.77 KMT2A (0.64) MEN1KMT2AESR1ESR2GAA
SCHEMBL3839448 0.77 ESR1 (0.50) MEN1KMT2AESR1ESR2GAA
SCHEMBL3845371 0.73 CYP1A2 (0.47) MEN1KMT2AESR1ESR2GAA
SCHEMBL8502271 0.73 CYP1A2 (0.42) MEN1KMT2AESR1ESR2GAA

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