SCHEMBL25940772

SCHEMBL25940772

C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)CC)c(OC)c2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.43
VCP P55072 1/20 0.43
ERN1 O75460 1/20 0.41
FFAR1 O14842 1/20 0.41
AMY1A P0DUB6 1/20 0.39
HTT P42858 2/20 0.39
ALOX15 P16050 1/20 0.39
ACLY P53396 1/20 0.38
PRKCZ Q05513 1/20 0.37
PTGS1 P23219 1/20 0.37
CYP17A1 P05093 1/20 0.37
MAPT P10636 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 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
SCHEMBL18308841 0.91 ERN1 (0.47) ERN1FFAR1AMY1AHTTPTGS1
SCHEMBL25933764 0.91 FGFR1 (0.40) FGFR1VCPERN1FFAR1AMY1A
SCHEMBL23643336 0.89 ALOX15 (0.39) FFAR1ALOX15ACLYMAPTMAPK1
SCHEMBL22592265 0.88 ERN1 (0.47) ERN1FFAR1AMY1AHTTMAPT
SCHEMBL19497304 0.86 ACLY (0.41) FFAR1ALOX15ACLYMAPTLMNA
SCHEMBL21400894 0.86 FGFR1 (0.44) FGFR1VCPHTTALOX15PTGS1
SCHEMBL25944835 0.86 ERN1 (0.43) ERN1FFAR1AMY1AHTTPTGS1
SCHEMBL24180765 0.86 ERN1 (0.50) ERN1FFAR1AMY1AHTTPTGS1
SCHEMBL18869421 0.86 ERN1 (0.49) ERN1FFAR1HTTPTGS1CYP17A1
SCHEMBL26000358 0.85 THRB (0.38) FFAR1HTTALOX15ACLYMAPT

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-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 EP disclosed