SCHEMBL9714877

SCHEMBL9714877

CC(C)(C(=O)CCl)C(Cl)/C=C(/Cl)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TRPA1 O75762 2/20 0.35
HTT P42858 2/20 0.35
CES2 O00748 3/20 0.34
CES1 P23141 3/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 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
SCHEMBL9714880 1.00 GSK3B (0.41) GSK3BPOLBMAPTCYP1A2CYP2C19
SCHEMBL9714886 0.87 GSK3B (0.42) GSK3BPOLBMAPTCYP1A2CYP2C19
SCHEMBL9714887 0.87 GSK3B (0.42) GSK3BPOLBMAPTCYP1A2CYP2C19
SCHEMBL9714878 0.84 POLB (0.41) POLBMAPTCYP1A2CYP2C19HPGD
SCHEMBL9714881 0.84 POLB (0.41) POLBMAPTCYP1A2CYP2C19HPGD
SCHEMBL11472847 0.76 POLB (0.36) POLBMAPTHDAC3HDAC1HDAC2
SCHEMBL9774662 0.75 PTPN1 (0.41) GSK3BMAPTCYP1A2CYP2C19HPGD
SCHEMBL9774667 0.75 PTPN1 (0.41) GSK3BMAPTCYP1A2CYP2C19HPGD
SCHEMBL11068444 0.74 PTGS2 (0.40) POLBHDAC1TRPA1HTTMAPK1
SCHEMBL11063245 0.72 SMN1; SMN2 (0.43) MAPTCYP1A2CYP2C19HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323625-B1 Process for preparing 3-[2-chloro-2(4-chlorophenyl)-vinyl]-2,2-dimethyl-cyclopropane carboxylic acid BAYER AG (DE) 1992-09-09 EP claimed
US-4897505-A Process for the preparation of 3-(2-chloro-2-(4-chloro-phenyl)-vinyl)-2,2-dimethylcyclopropanecarboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 1990-01-30 US claimed
EP-0323625-A2 Process for preparing 3-[2-chloro-2(4-chlorophenyl)-vinyl]-2,2-dimethyl-cyclopropane carboxylic acid BAYER AG (DE) 1989-07-12 EP claimed
JP-1203350-A None JP disclosed
EP-0323625-B1 Process for preparing 3-[2-chloro-2(4-chlorophenyl)-vinyl]-2,2-dimethyl-cyclopropane carboxylic acid BAYER AG (DE) 1992-09-09 EP disclosed
US-4897505-A Process for the preparation of 3-(2-chloro-2-(4-chloro-phenyl)-vinyl)-2,2-dimethylcyclopropanecarboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 1990-01-30 US disclosed
US-4897505-A Process for the preparation of 3-(2-chloro-2-(4-chloro-phenyl)-vinyl)-2,2-dimethylcyclopropanecarboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 1990-01-30 US disclosed
JP-H01203350-A PREPARATION OF 3-(2-CHLORO-2-(4-CHLOROPHENYL)-VINYL)-2,2-DIMETHYLCYCLOPROPANECARBOXYLIC ACID BAYER AG 1989-08-16 JP disclosed
EP-0323625-A2 Process for preparing 3-[2-chloro-2(4-chlorophenyl)-vinyl]-2,2-dimethyl-cyclopropane carboxylic acid BAYER AG (DE) 1989-07-12 EP disclosed