SCHEMBL27363344

SCHEMBL27363344

Cc1ccc(-c2ccccc2-c2cc(F)c(F)c(F)c2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
ACHE P22303 1/20 0.41
FEN1 P39748 5/20 0.41
ALOX5AP P20292 4/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C1 Q04828 1/20 0.40
GPR3 P46089 1/20 0.40
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL12330295 0.84 TNKS (0.57) TNKSTNKS2AKR1C3AKR1C2ACHE
SCHEMBL17840122 0.83 FEN1 (0.42) AKR1C3FEN1ALOX5APGPR3PTGS2
SCHEMBL12229144 0.82 ALOX5AP (0.46) TNKSTNKS2ACHEFEN1ALOX5AP
SCHEMBL2132813 0.81 FEN1 (0.41) AKR1C3FEN1ALOX5APGPR3PTGS2
SCHEMBL19935596 0.81 TNKS (0.54) TNKSTNKS2AKR1C3AKR1C2ACHE
SCHEMBL10091244 0.81 PGR (0.44) TNKSTNKS2AKR1C3AKR1C2ACHE
SCHEMBL18069652 0.79 AKR1C3 (0.50) AKR1C3AKR1C2ACHEFEN1ALOX5AP
SCHEMBL15314774 0.79 TNKS (0.42) TNKSTNKS2AKR1C3AKR1C2ACHE
SCHEMBL8289012 0.79 AKR1C3 (0.44) TNKSTNKS2AKR1C3AKR1C2ACHE
SCHEMBL22149192 0.77 BRD4 (0.44) TNKSTNKS2AKR1C3AKR1C2ACHE

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
CN-1073548-C Pheyl benzoate derivatives and liquid crystal compositions CHISSO CORP (JP) 2001-10-24 CN disclosed
CN-1178520-A phenyl benzoate derivative and liquid crystal composition CHISSO CORP (JP) 1998-04-08 CN disclosed