SCHEMBL8467336

SCHEMBL8467336

CCC1CCC(c2ccc(F)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TRPV3 Q8NET8 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CYP2C9 P11712 2/20 0.37
ESR2 Q92731 2/20 0.37
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
USP5 P45974 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HCRTR2 O43614 3/20 0.36
CCR2 P41597 1/20 0.36
CNR1 P21554 1/20 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
SCHEMBL18511910 0.95 HTR2A (0.37) HTR2AHTR2CHTR2BTRPV3USP30
SCHEMBL5683749 0.95 HTR2A (0.37) HTR2AHTR2CHTR2BTRPV3USP30
SCHEMBL3437346 0.95 HTR2A (0.37) HTR2AHTR2CHTR2BTRPV3USP30
SCHEMBL8452150 0.95 CYP2C9 (0.40) HTR2AHTR2CHTR2BTRPV3USP30
SCHEMBL7756551 0.95 CYP2C9 (0.40) HTR2AHTR2CHTR2BTRPV3USP30
SCHEMBL5683754 0.95 HTR2A (0.37) HTR2AHTR2CHTR2BTRPV3USP30
SCHEMBL7511645 0.95 CYP2C9 (0.40) HTR2AHTR2CHTR2BTRPV3USP30
SCHEMBL9330960 0.91 CCR2 (0.35) HTR2AHTR2CHTR2BTRPV3USP30
SCHEMBL8754220 0.91 USP30 (0.36) HTR2AHTR2CHTR2BTRPV3USP30
SCHEMBL12012971 0.91 CYP2C9 (0.38) HTR2AHTR2CHTR2BTRPV3USP30

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
EP-0675187-B1 Liquid crystalline compounds and liquid crystal composition CHISSO CORP (JP) 1999-09-15 EP disclosed
EP-0675187-A2 Liquid crystalline compounds and liquid crystal composition Chisso Corporation (JP) 1995-10-04 EP disclosed