SCHEMBL8766705

SCHEMBL8766705

C=CCc1ccc(S(=O)O)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
GABRA1 P14867 4/20 0.37
GABRB2 P47870 4/20 0.37
POLB P06746 4/20 0.36
MAPT P10636 6/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SRD5A1 P18405 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
XDH P47989 1/20 0.31
HPGD P15428 4/20 0.30
MEN1 O00255 2/20 0.30
GAA P10253 2/20 0.30
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 2/20 0.30
LMNA P02545 2/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL7943204 0.78 TAS1R3 (0.36) GABRA1GABRB2POLBMEN1KMT2A
SCHEMBL11333301 0.74 HSD17B10 (0.46) PTGDRPTGDR2GABRA1GABRB2POLB
SCHEMBL249746 0.74 IDO1 (0.54) PTGDRPTGDR2POLBMAPTALDH1A1
SCHEMBL30956678 0.74 IDO1 (0.54) PTGDRPTGDR2POLBMAPTALDH1A1
SCHEMBL28227965 0.73 MTNR1A (0.44) GABRA1GABRB2POLBMAPTALDH1A1
SCHEMBL11228437 0.73 HSD17B10 (0.42) ALDH1A1TDP1KMT2ACYP3A4
Bromide SCHEMBL28225209 0.72 IDO1 (0.52) PTGDRPTGDR2POLBMAPTALDH1A1
SCHEMBL8191483 0.72 ALDH1A1 (0.44) GABRA1GABRB2POLBMAPTALDH1A1
SCHEMBL28227159 0.71 XDH (0.44) GABRA1GABRB2POLBMAPTALDH1A1
SCHEMBL8765889 0.71 POLB (0.49) PTGDRPTGDR2GABRA1GABRB2POLB

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-0619303-B1 4-alkyl-3-chloro-benzenesulfinic acids, 4-alkyl-3-chloro-benzenesulfonic acids, 4-alkyl-3-chloro-alkylsulfonylbenzenes and process for their preparation HOECHST AG (DE) 1997-08-13 EP disclosed
EP-0619303-A1 4-alkyl-3-chloro-benzenesulfinic acids, 4-alkyl-3-chloro-benzenesulfonic acids, 4-alkyl-3-chloro-alkylsulfonylbenzenes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-12 EP disclosed