SCHEMBL6894489

SCHEMBL6894489

CCCc1ccc(-c2ccc(O)c(F)c2)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
MGLL Q99685 9/20 0.44
ESR1 P03372 5/20 0.43
ESR2 Q92731 5/20 0.43
FAAH O00519 2/20 0.42
CNR1 P21554 2/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
HSD17B1 P14061 2/20 0.39
CYP17A1 P05093 1/20 0.39
HSD17B2 P37059 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
SCHEMBL20093398 0.90 MGLL (0.48) ALOX5MGLLESR1ESR2FAAH
SCHEMBL17356563 0.86 CTSL (0.42) ALOX5GABRA1GABRB2CTSLCTSS
SCHEMBL20010719 0.83 CTSL (0.40) ALOX5CTSLCTSSCTSK
SCHEMBL17356554 0.82 CTSL (0.43) ALOX5CTSLCTSSCTSK
SCHEMBL16377227 0.81 RARB (0.44) ALOX5CNR1GABRA1GABRB2CTSL
SCHEMBL10091133 0.80 CTSL (0.47) ALOX5CTSLCTSSCTSK
SCHEMBL16852366 0.79 GABRA1 (0.45) ALOX5MGLLGABRA1GABRB2CTSL
SCHEMBL18779784 0.79 RARB (0.43) ALOX5GABRA1GABRB2CTSLCTSS
SCHEMBL16377210 0.79 RARB (0.40) ALOX5GABRA1GABRB2CTSLCTSS
SCHEMBL10303318 0.79 CTSL (0.42) ALOX5ESR1ESR2CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945418-B1 LIQUID CRYSTAL COMPOUNDS EXHIBITING NEGATIVE ANISOTROPY OF PERMITTIVITY, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAYS CHISSO CORP (JP) 2004-04-07 EP disclosed
US-6210761-B1 HIGH VOLTAGE HOLDING RATIO AND A LOW THRESHOLD VOLTAGE, ARE REMARKABLY SMALL IN THEIR DEPENDENCY ON TEMPERATURE, HARDLY EXHIBIT SMECTIC PHASE, AND ARE EXCELLENT IN MISCIBILITY WITH OTHER LIQUID CRYSTAL MATERIALS CHISSO CORPORATION (JP) 2001-04-03 US disclosed
EP-0945418-A1 LIQUID CRYSTAL COMPOUNDS EXHIBITING NEGATIVE ANISOTROPY OF PERMITTIVITY, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAYS CHISSO CORPORATION (JP) 1999-09-29 EP disclosed