SCHEMBL9855901

SCHEMBL9855901

CCCCCC1CCC(C#Cc2ccc(C#CC3CCC(CCCCC)CC3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 3/20 0.37
FFAR4 Q5NUL3 2/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GRM2 Q14416 1/20 0.34
PKM P14618 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
P2RY6 Q15077 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BACE1 P56817 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 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
SCHEMBL9498081 1.00 FFAR1 (0.42) FFAR1MEN1KMT2ACYP1A2FFAR4
SCHEMBL9496725 0.98 FFAR1 (0.41) FFAR1MEN1KMT2ACYP1A2FFAR4
SCHEMBL9855387 0.98 FFAR1 (0.41) FFAR1MEN1KMT2ACYP1A2FFAR4
SCHEMBL9855228 0.95 FFAR1 (0.43) FFAR1MEN1KMT2ACYP1A2FFAR4
SCHEMBL9496641 0.95 FFAR1 (0.43) FFAR1MEN1KMT2ACYP1A2FFAR4
SCHEMBL24717189 0.93 FFAR1 (0.38) FFAR1MEN1KMT2ACYP1A2FFAR4
SCHEMBL9494953 0.93 GRM2 (0.38) FFAR1MEN1KMT2ACYP1A2FFAR4
SCHEMBL9494952 0.93 GRM2 (0.38) FFAR1MEN1KMT2ACYP1A2FFAR4
SCHEMBL9499027 0.93 KCNH2 (0.41) FFAR1MEN1KMT2ACYP1A2FFAR4
SCHEMBL9499025 0.93 KCNH2 (0.41) FFAR1MEN1KMT2ACYP1A2FFAR4

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