SCHEMBL7916263

SCHEMBL7916263

CCCCCC1CCC(C2CCC(CCc3ccc(-c4ccc(CCCF)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.40
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
HTR2A P28223 4/20 0.33
HTR2C P28335 3/20 0.33
GPR84 Q9NQS5 1/20 0.32
S1PR1 P21453 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
S1PR3 Q99500 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL7916257 1.00 RARB (0.40) RARBRARARARGHTR2AHTR2C
SCHEMBL7916260 1.00 RARB (0.40) RARBRARARARGHTR2AHTR2C
SCHEMBL7916265 1.00 RARB (0.40) RARBRARARARGHTR2AHTR2C
SCHEMBL7902615 0.86 HTR2A (0.35) RARBRARARARGHTR2AHTR2C
SCHEMBL7902618 0.86 HTR2A (0.35) RARBRARARARGHTR2AHTR2C
SCHEMBL7902620 0.86 HTR2A (0.35) RARBRARARARGHTR2AHTR2C
SCHEMBL7902627 0.86 HTR2A (0.35) RARBRARARARGHTR2AHTR2C
SCHEMBL7024857 0.85 RARB (0.44) RARBRARARARGGPR84S1PR1
SCHEMBL7909661 0.84 SPHK1 (0.38) RARBRARARARG
SCHEMBL7909665 0.84 SPHK1 (0.38) RARBRARARARG

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