SCHEMBL17914331

SCHEMBL17914331

Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)c(F)c4)c(F)c3F)cc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
AKR1B10 O60218 2/20 0.48
AKR1C4 P17516 2/20 0.48
AKR1C1 Q04828 2/20 0.48
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
PTGS2 P35354 7/20 0.40
PTGS1 P23219 3/20 0.39
RPS6KA3 P51812 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36

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
SCHEMBL17570165 0.96 AKR1C3 (0.45) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL17570169 0.95 AKR1C3 (0.44) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL17192339 0.93 AKR1C3 (0.43) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL13417792 0.93 AKR1C3 (0.43) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL172359 0.93 PDE3B (0.47) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL803238 0.91 AKR1C3 (0.50) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL18069651 0.89 AKR1C3 (0.53) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL803430 0.89 AKR1C3 (0.53) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL10024806 0.89 AKR1C3 (0.53) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL18069652 0.89 AKR1C3 (0.50) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160202560-A1 PHOTO-ALIGNMENT MATERIAL AND PHOTO-ALIGNMENT METHOD TOKYO INSTITUTE OF TECHNOLOGY (JP) 2016-07-14 US disclosed