SCHEMBL25933764

SCHEMBL25933764

C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)CC)c(OC(=O)C(=C)C)c3)c(F)c2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.40
VCP P55072 1/20 0.40
ALOX15 P16050 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
MAPT P10636 1/20 0.38
PRKCZ Q05513 2/20 0.37
AMY1A P0DUB6 1/20 0.37
HTT P42858 1/20 0.36
PTGS2 P35354 1/20 0.36
CTSA P10619 3/20 0.36
FFAR1 O14842 1/20 0.36
ACLY P53396 1/20 0.36
ERN1 O75460 1/20 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
SCHEMBL24440894 0.92 AMY1A (0.41) AKR1C3AKR1C2MAPTPRKCZAMY1A
SCHEMBL25940772 0.91 FGFR1 (0.43) FGFR1VCPALOX15MAPTPRKCZ
SCHEMBL18699583 0.90 AR (0.42) AKR1C3AKR1C2PRKCZAMY1APTGS2
SCHEMBL26144314 0.88 ERN1 (0.42) MAPTPRKCZAMY1AHTTPTGS2
SCHEMBL26144313 0.88 ERN1 (0.42) MAPTPRKCZAMY1AHTTPTGS2
SCHEMBL25945446 0.87 AMY1A (0.39) AKR1C3AKR1C2MAPTPRKCZAMY1A
SCHEMBL15338821 0.87 GAPDH (0.41) AKR1C3AKR1C2ERN1
SCHEMBL17547007 0.86 GAPDH (0.36) ALOX15AKR1C3AKR1C2PRKCZHTT
SCHEMBL25945455 0.86 KDM4E (0.38) MAPTPRKCZAMY1APTGS2CTSA
SCHEMBL15338898 0.86 GAPDH (0.40) AKR1C3AKR1C2ERN1

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