SCHEMBL25944835

SCHEMBL25944835

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
AMY1A P0DUB6 2/20 0.41
FFAR1 O14842 1/20 0.40
ABCB1 P08183 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
TSHR P16473 1/20 0.38
AR P10275 1/20 0.37
PTGS1 P23219 1/20 0.36
CYP17A1 P05093 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
PTGS2 P35354 2/20 0.36

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 0.95 ERN1 (0.47) ERN1AMY1AFFAR1ABCB1LMNA
SCHEMBL25944979 0.93 ERN1 (0.37) ERN1AMY1AFFAR1ABCB1LMNA
SCHEMBL22592265 0.92 ERN1 (0.47) ERN1AMY1AFFAR1ABCB1LMNA
SCHEMBL21183111 0.92 CFD (0.38) ERN1FFAR1ABCB1LMNAMAPK1
SCHEMBL25945446 0.90 AMY1A (0.39) ERN1AMY1AFFAR1ABCB1MAPT
SCHEMBL24180765 0.89 ERN1 (0.50) ERN1AMY1AFFAR1LMNAMAPK1
SCHEMBL18869421 0.89 ERN1 (0.49) ERN1FFAR1LMNAMAPK1HTT
SCHEMBL26144313 0.88 ERN1 (0.42) ERN1AMY1AFFAR1LMNAMAPK1
SCHEMBL26144314 0.88 ERN1 (0.42) ERN1AMY1AFFAR1LMNAMAPK1
SCHEMBL20312074 0.88 ERN1 (0.48) ERN1FFAR1LMNAMAPK1HTT

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