SCHEMBL16852377

SCHEMBL16852377

CCOc1ccc(-c2ccc(CC)c(F)c2F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
PTGS2 P35354 4/20 0.41
PTGS1 P23219 2/20 0.41
KDM1A O60341 2/20 0.40
PTPRC P08575 1/20 0.40
FGFR2 P21802 2/20 0.39
FGFR1 P11362 1/20 0.39
FAAH O00519 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PRKCZ Q05513 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL10303357 0.94 NAAA (0.46) NAAAPTGS2PTGS1KDM1APTPRC
SCHEMBL16855917 0.89 FGFR2 (0.46) NAAAPTGS2PTGS1KDM1APTPRC
SCHEMBL16852364 0.89 CCNT1 (0.38) NAAAKDM4EPOLBHPGDMAPK1
SCHEMBL16852378 0.89 NAAA (0.43) NAAAPTGS2PTGS1KDM1APTPRC
SCHEMBL16852421 0.89 CTSL (0.45) NAAAPTGS2PTGS1KDM1APTPRC
SCHEMBL10303394 0.88 FGFR2 (0.39) NAAAPTPRCFGFR2FGFR1KDM4E
SCHEMBL16852419 0.87 PPARD (0.41) CCNT1CDK9CTSLCTSSCTSK
SCHEMBL16852389 0.87 PTGS2 (0.49) NAAAPTGS2PTGS1KDM4EPOLB
SCHEMBL16852409 0.86 NAAA (0.42) NAAAPTGS2PTGS1KDM1APTPRC
SCHEMBL16852362 0.86 THRA (0.44)

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
US-9951274-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2018-04-24 US disclosed
US-20150175884-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
US-20150175884-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-06-25 US disclosed