SCHEMBL9498673

SCHEMBL9498673

CCCCCCCC1CCC(C#Cc2ccc(C(F)(F)C(F)(F)F)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.34
LSS P48449 3/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
P2RY6 Q15077 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM2 Q14416 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
KCNH2 Q12809 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
SCHEMBL9496300 1.00 FFAR1 (0.34) FFAR1LSSGAAMAPTP2RY6
SCHEMBL9496293 1.00 FFAR1 (0.34) FFAR1LSSGAAMAPTP2RY6
SCHEMBL9498659 1.00 FFAR1 (0.34) FFAR1LSSGAAMAPTP2RY6
SCHEMBL9497441 0.99 FFAR1 (0.35) FFAR1LSSGAAMAPTP2RY6
SCHEMBL9497431 0.99 FFAR1 (0.35) FFAR1LSSGAAMAPTP2RY6
SCHEMBL9496088 0.95 FFAR1 (0.35) FFAR1P2RY6FFAR4
SCHEMBL9496097 0.95 FFAR1 (0.35) FFAR1P2RY6FFAR4
SCHEMBL9500577 0.90 LSS (0.41) FFAR1LSSGAAMAPTP2RY6
SCHEMBL9495192 0.90 LSS (0.41) FFAR1LSSGAAMAPTP2RY6
SCHEMBL9495201 0.90 LSS (0.41) FFAR1LSSGAAMAPTP2RY6

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