SCHEMBL9355338

SCHEMBL9355338

CCCc1ccc(C#Cc2ccc(OCC)c(F)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
CALM1 P0DP23 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
KDM1A O60341 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
TUBB1 Q9H4B7 1/20 0.34

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
SCHEMBL7858585 0.85 FFAR1 (0.52) FFAR1FFAR4
SCHEMBL8587602 0.84 ACACB (0.47) FFAR1FFAR4
SCHEMBL9512371 0.84 ACACB (0.39) FFAR1CALM1KDM1AGABRA1GABRB2
SCHEMBL14526080 0.84 FFAR1 (0.48) FFAR1FFAR4PTGDR2
SCHEMBL10302794 0.83 FFAR4 (0.40) FFAR1FFAR4CALM1PTGDR2GABRA1
SCHEMBL15803458 0.83 KDM1A (0.47) CALM1KDM1AGABRA1GABRB2TUBB1
SCHEMBL7859826 0.82 FFAR1 (0.55) FFAR1FFAR4
SCHEMBL8978916 0.82 FFAR1 (0.48) FFAR1FFAR4
SCHEMBL7861578 0.80 FFAR1 (0.48) FFAR1FFAR4
SCHEMBL7858739 0.80 FFAR1 (0.48) FFAR1FFAR4

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
EP-0394417-B1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
EP-0394417-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 EP disclosed