SCHEMBL9854903

SCHEMBL9854903

CCC1CCC(C#Cc2ccc(C#CC3CCC(CC)CC3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 2/20 0.41
ACACB O00763 1/20 0.37
HAO1 Q9UJM8 1/20 0.35
KCNH2 Q12809 1/20 0.33
PTGES O14684 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA2 Q15822 2/20 0.33
P2RY6 Q15077 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
PGK1 P00558 1/20 0.32
APP P05067 1/20 0.32
BACE1 P56817 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
SCHEMBL9496202 1.00 FFAR1 (0.47) FFAR1FFAR4ACACBHAO1KCNH2
SCHEMBL9497422 0.91 FFAR1 (0.42) FFAR1FFAR4ACACBHAO1P2RY6
SCHEMBL9497432 0.91 FFAR1 (0.42) FFAR1FFAR4ACACBHAO1P2RY6
SCHEMBL9498077 0.91 FFAR1 (0.42) FFAR1FFAR4ACACBKCNH2PGK1
SCHEMBL9498083 0.91 FFAR1 (0.42) FFAR1FFAR4ACACBKCNH2PGK1
Fluoride SCHEMBL9841456 0.90 FFAR1 (0.41) FFAR1FFAR4ACACBHAO1PTGES
SCHEMBL8775478 0.90 FFAR1 (0.48) FFAR1FFAR4ACACBKCNH2PTGES
SCHEMBL9495017 0.87 FFAR1 (0.39) FFAR1FFAR4CHRNB2CHRNA2CHRNB4
SCHEMBL8775279 0.87 FFAR1 (0.52) FFAR1FFAR4ACACBPTGESPGK1
SCHEMBL9855349 0.87 FFAR1 (0.39) FFAR1FFAR4CHRNB2CHRNA2CHRNB4

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
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed