SCHEMBL9497431

SCHEMBL9497431

CCCCC[C@H]1CC[C@H](C#Cc2ccc(C(F)(F)C(F)(F)F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.35
P2RY6 Q15077 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LSS P48449 3/20 0.31
FFAR4 Q5NUL3 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL9497441 1.00 FFAR1 (0.35) FFAR1P2RY6MEN1KMT2ALSS
SCHEMBL9498659 0.99 FFAR1 (0.34) FFAR1P2RY6MEN1KMT2ALSS
SCHEMBL9496300 0.99 FFAR1 (0.34) FFAR1P2RY6MEN1KMT2ALSS
SCHEMBL9498673 0.99 FFAR1 (0.34) FFAR1P2RY6MEN1KMT2ALSS
SCHEMBL9496293 0.99 FFAR1 (0.34) FFAR1P2RY6MEN1KMT2ALSS
SCHEMBL9496088 0.96 FFAR1 (0.35) FFAR1P2RY6FFAR4BACE1
SCHEMBL9496097 0.96 FFAR1 (0.35) FFAR1P2RY6FFAR4BACE1
SCHEMBL9495558 0.91 FFAR1 (0.37) FFAR1P2RY6FFAR4MAPTBACE1
SCHEMBL9495564 0.91 FFAR1 (0.37) FFAR1P2RY6FFAR4MAPTBACE1
SCHEMBL9496416 0.90 LSS (0.39) FFAR1P2RY6MEN1KMT2ALSS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306505-B1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK PATENT GmbH (DE) 1993-03-24 EP disclosed
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed
EP-0306505-A1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES. MERCK PATENT GMBH (DE) 1989-03-15 EP disclosed
WO-1988007523-A1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 WO disclosed