SCHEMBL8993289

SCHEMBL8993289

COCOc1ccc(-c2ccc(OCc3ccccc3)c(F)c2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.57
FFAR1 O14842 5/20 0.46
PPARD Q03181 4/20 0.46
CTSA P10619 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
KDM1A O60341 2/20 0.44
S1PR5 Q9H228 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
SLK Q9H2G2 2/20 0.43
STK10 O94804 1/20 0.43
GRM2 Q14416 1/20 0.43
MGLL Q99685 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EGFR P00533 1/20 0.42
PRMT5 O14744 1/20 0.41

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
SCHEMBL8832399 0.86 CYP17A1 (0.45) ERN1FFAR1PPARDMGLLEGFR
SCHEMBL8993210 0.85 ERN1 (0.56) ERN1FFAR1PPARDCTSAMRGPRX4
SCHEMBL10093047 0.84 ERN1 (0.55) ERN1FFAR1PPARDCTSAMRGPRX4
SCHEMBL8617145 0.82 ERN1 (0.53) ERN1FFAR1PPARDCTSAKDM1A
SCHEMBL8619252 0.82 ERN1 (0.53) ERN1FFAR1PPARDCTSAKDM1A
SCHEMBL21162496 0.82 ERN1 (0.59) ERN1FFAR1PPARDCTSAMRGPRX4
SCHEMBL8993237 0.81 ERN1 (0.58) ERN1FFAR1PPARDCTSAMRGPRX4
SCHEMBL8612029 0.81 ERN1 (0.52) ERN1FFAR1PPARDCTSAMRGPRX4
SCHEMBL8612887 0.81 ERN1 (0.52) ERN1FFAR1PPARDCTSAMRGPRX4
SCHEMBL10435369 0.80 ERN1 (0.52) ERN1FFAR1PPARDCTSAMRGPRX4

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
US-5545747-A STABLE FERROELECTRIC LIQUID CRYSTALLINE COMPOUNDS KANTO KAGAKU KABUSHIKI KAISHA (JP) 1996-08-13 US disclosed
EP-0496896-A1 CYCLOBUTANECARBOXYLIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME KANTO KAGAKU KABUSHIKI KAISHA (JP) 1992-08-05 EP disclosed