SCHEMBL9496507

SCHEMBL9496507

CCCCC[C@H]1CC[C@H](C2CCC(C#Cc3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.37
FFAR1 O14842 1/20 0.34
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
BACE1 P56817 1/20 0.32
EPHX2 P34913 1/20 0.31
P2RY6 Q15077 1/20 0.31
DPP4 P27487 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9496516 1.00 LSS (0.37) LSSFFAR1GAAMAPTBACE1
SCHEMBL9497090 0.99 LSS (0.39) LSSFFAR1GAAMAPTBACE1
SCHEMBL9497473 0.99 LSS (0.39) LSSFFAR1GAAMAPTBACE1
SCHEMBL9497486 0.99 LSS (0.39) LSSFFAR1GAAMAPTBACE1
SCHEMBL9495466 0.99 LSS (0.39) LSSFFAR1GAAMAPTBACE1
SCHEMBL10513699 0.99 LSS (0.39) LSSFFAR1GAAMAPTBACE1
SCHEMBL9498487 0.96 LSS (0.35) LSSFFAR1BACE1EPHX2DPP4
SCHEMBL9498500 0.96 LSS (0.35) LSSFFAR1BACE1EPHX2DPP4
SCHEMBL9496412 0.96 LSS (0.39) LSSFFAR1GAAMAPTBACE1
SCHEMBL9496416 0.96 LSS (0.39) LSSFFAR1GAAMAPTBACE1

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-0306505-B1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK PATENT GmbH (DE) 1993-03-24 EP disclosed