SCHEMBL15318591

SCHEMBL15318591

CCCC1C=CC(C2CCC(c3ccc(COc4ccc(C)cc4)cc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
HRH3 Q9Y5N1 3/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PARP10 Q53GL7 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
ACHE P22303 1/20 0.34
HPGD P15428 1/20 0.33
AR P10275 1/20 0.33
FFAR1 O14842 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
SCHEMBL15221014 0.93 MAOB (0.37) MAOBHRH3OPRM1OPRD1MRGPRX4
SCHEMBL15219933 0.89 SPHK1 (0.46) HRH3
SCHEMBL21182689 0.84 MAOB (0.42) MAOBHRH3OPRM1OPRD1MRGPRX4
SCHEMBL15318593 0.83 SPHK1 (0.40) HRH3RAB9A
SCHEMBL15221038 0.81 DRD2 (0.47) RAB9ASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL15316583 0.81 FFAR4 (0.33) RAB9A
SCHEMBL10022021 0.78 KDM1A (0.35) PARP10
SCHEMBL15220736 0.78 FFAR4 (0.32) RAB9A
SCHEMBL15316584 0.77 SPHK1 (0.46) RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL15220705 0.75 DRD2 (0.45) HRH3RAB9ASMN1; SMN2ALDH1A1MAPT

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
US-9090825-B2 Cyclohexene-3,6-diyl compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-07-28 US disclosed
US-20130270480-A1 CYCLOHEXENE-3,6-DIYL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION 2013-10-17 US disclosed