SCHEMBL22809285

SCHEMBL22809285

CCCc1ccc(-c2ccc(OCC)c(F)c2F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.44
GABRB2 P47870 6/20 0.44
NAAA Q02083 1/20 0.41
FGFR2 P21802 2/20 0.41
FGFR1 P11362 1/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PTPRC P08575 1/20 0.37
ALOX5 P09917 1/20 0.36
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8932327 0.94 NAAA (0.42) GABRA1GABRB2NAAAFGFR2FGFR1
SCHEMBL12579528 0.92 CNR2 (0.41) GABRA1GABRB2NAAAFGFR2FGFR1
SCHEMBL6889160 0.91 GABRA1 (0.43) GABRA1GABRB2NAAAFGFR2FGFR1
SCHEMBL16852421 0.90 CTSL (0.45) GABRA1GABRB2NAAAFGFR2FGFR1
SCHEMBL10302027 0.88 GABRA1 (0.43) GABRA1GABRB2NAAAFGFR2FGFR1
SCHEMBL10019992 0.88 GABRA1 (0.38) GABRA1GABRB2NAAAFGFR2FGFR1
SCHEMBL10019984 0.88 NAAA (0.39) GABRA1GABRB2NAAAFGFR2FGFR1
SCHEMBL18371997 0.87 GABRA1 (0.43) GABRA1GABRB2NAAAFGFR2FGFR1
SCHEMBL10303391 0.87 CTSS (0.49) GABRA1GABRB2NAAAFGFR2FGFR1
SCHEMBL10302824 0.86 FFAR1 (0.39) GABRA1GABRB2NAAAFGFR2FGFR1

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
EP-3418350-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2020-12-23 EP disclosed