SCHEMBL9855387

SCHEMBL9855387

CCCCCCC1CCC(C#Cc2ccc(C#CC3CCC(CCCCCC)CC3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FFAR4 Q5NUL3 2/20 0.36
CYP1A2 P05177 2/20 0.36
GRM2 Q14416 1/20 0.36
HTT P42858 1/20 0.35
KCNH2 Q12809 3/20 0.33
EPHX1 P07099 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR3 Q99500 1/20 0.33
LSS P48449 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL9496725 1.00 FFAR1 (0.41) FFAR1GAAMAPTMEN1KMT2A
SCHEMBL9855901 0.98 FFAR1 (0.42) FFAR1GAAMAPTMEN1KMT2A
SCHEMBL9498081 0.98 FFAR1 (0.42) FFAR1GAAMAPTMEN1KMT2A
SCHEMBL9855228 0.93 FFAR1 (0.43) FFAR1GAAMAPTMEN1KMT2A
SCHEMBL9496641 0.93 FFAR1 (0.43) FFAR1GAAMAPTMEN1KMT2A
SCHEMBL9499495 0.93 KCNH2 (0.43) FFAR1GAAMAPTMEN1KMT2A
SCHEMBL9499837 0.93 KCNH2 (0.43) FFAR1GAAMAPTMEN1KMT2A
SCHEMBL9498047 0.93 KCNH2 (0.43) FFAR1GAAMAPTMEN1KMT2A
SCHEMBL9498057 0.93 KCNH2 (0.43) FFAR1GAAMAPTMEN1KMT2A
SCHEMBL9497487 0.93 KCNH2 (0.43) FFAR1GAAMAPTMEN1KMT2A

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