SCHEMBL9495201

SCHEMBL9495201

CCCCCCC1CCC(C#Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.41
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
FFAR1 O14842 1/20 0.35
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
BACE1 P56817 1/20 0.32
P2RY6 Q15077 1/20 0.32
DPP4 P27487 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9500577 1.00 LSS (0.41) LSSGAAMAPTFFAR1PLG
SCHEMBL9500584 1.00 LSS (0.41) LSSGAAMAPTFFAR1PLG
SCHEMBL9495192 1.00 LSS (0.41) LSSGAAMAPTFFAR1PLG
SCHEMBL9496416 0.99 LSS (0.39) LSSGAAMAPTFFAR1BACE1
SCHEMBL9496412 0.99 LSS (0.39) LSSGAAMAPTFFAR1BACE1
SCHEMBL9495466 0.96 LSS (0.39) LSSGAAMAPTFFAR1PLG
SCHEMBL9497486 0.96 LSS (0.39) LSSGAAMAPTFFAR1PLG
SCHEMBL10513699 0.96 LSS (0.39) LSSGAAMAPTFFAR1PLG
SCHEMBL9497473 0.96 LSS (0.39) LSSGAAMAPTFFAR1PLG
SCHEMBL9497090 0.96 LSS (0.39) LSSGAAMAPTFFAR1PLG

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-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