SCHEMBL7902577

SCHEMBL7902577

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H]3CC[C@H](CCc4ccc(CF)cc4)CC3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SPHK1 Q9NYA1 12/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR3 Q99500 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
SPHK2 Q9NRA0 9/20 0.35

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
SCHEMBL7902564 1.00 MAOA (0.40) MAOAMAOBSPHK1CYP3A4CYP2C8
SCHEMBL7902572 1.00 MAOA (0.40) MAOAMAOBSPHK1CYP3A4CYP2C8
SCHEMBL7902569 1.00 MAOA (0.40) MAOAMAOBSPHK1CYP3A4CYP2C8
SCHEMBL7909838 0.95 MAOB (0.40) MAOAMAOBSPHK1HRH3KMT2A
SCHEMBL7909854 0.95 MAOB (0.40) MAOAMAOBSPHK1HRH3KMT2A
SCHEMBL7909832 0.95 MAOB (0.40) MAOAMAOBSPHK1HRH3KMT2A
SCHEMBL7909844 0.95 MAOB (0.40) MAOAMAOBSPHK1HRH3KMT2A
SCHEMBL7909680 0.91 GPR84 (0.39) MAOAMAOBHRH3MEN1KMT2A
SCHEMBL7909674 0.91 GPR84 (0.39) MAOAMAOBHRH3MEN1KMT2A
SCHEMBL7909667 0.91 GPR84 (0.39) MAOAMAOBHRH3MEN1KMT2A

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-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed