SCHEMBL7909898

SCHEMBL7909898

CCC1CCC(C2CCC(C3CCC(CCc4ccc(CCCCF)cc4)CC3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.37
MAOA P21397 1/20 0.37
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
SPHK1 Q9NYA1 3/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
SPHK2 Q9NRA0 3/20 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
SCHEMBL7909889 1.00 MAOB (0.37) MAOBMAOAHTR2AKCNH2SPHK1
SCHEMBL7909906 1.00 MAOB (0.37) MAOBMAOAHTR2AKCNH2SPHK1
SCHEMBL7909893 1.00 MAOB (0.37) MAOBMAOAHTR2AKCNH2SPHK1
SCHEMBL7912752 0.91 MAOB (0.40) MAOBMAOAHTR2ASPHK1SPHK2
SCHEMBL7912748 0.91 MAOB (0.40) MAOBMAOAHTR2ASPHK1SPHK2
SCHEMBL7912754 0.91 MAOB (0.40) MAOBMAOAHTR2ASPHK1SPHK2
SCHEMBL7912759 0.91 MAOB (0.40) MAOBMAOAHTR2ASPHK1SPHK2
SCHEMBL7912784 0.89 MAOB (0.39) MAOBMAOAKCNH2GPR84
SCHEMBL7912786 0.89 MAOB (0.39) MAOBMAOAKCNH2GPR84
SCHEMBL7912778 0.89 MAOB (0.39) MAOBMAOAKCNH2GPR84

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