SCHEMBL8553812

SCHEMBL8553812

CCCCCCCCC1Cc2ccc(C(=O)O)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PLA2G4B P0C869 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
S1PR3 Q99500 1/20 0.45
RARB P10826 5/20 0.43
TBXA2R P21731 1/20 0.43

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
SCHEMBL11213206 0.89 CYP3A4 (0.52) TP53TSHRPLA2G4BCYP3A4CYP2C8
SCHEMBL11209754 0.89 CYP3A4 (0.57) PLA2G2ATP53TSHRPLA2G4BCYP3A4
SCHEMBL8552683 0.89 CYP3A4 (0.47) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL10929547 0.88 FYN (0.54) CYP2C9TBXA2R
SCHEMBL11072230 0.88 CYP3A4 (0.56) PLA2G2ACYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL11072113 0.88 CYP3A4 (0.50) TP53TSHRCYP3A4CYP2C8CYP2D6
SCHEMBL8553934 0.87 CYP3A4 (0.46) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL8553460 0.87 TBXA2R (0.45) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL8552795 0.83 KDM4E (0.42) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL24214088 0.82 ALDH1A1 (0.49) CYP2C19TBXA2R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5262678-A None JP disclosed
EP-0546338-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1998-02-04 EP disclosed
US-5385692-A Improved response CANON KABUSHIKI KAISHA (JP) 1995-01-31 US disclosed
JP-H05262678-A LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME, LIQUID CRYSTAL ELEMENT HAVING THE SAME, METHOD FOR DISPLAYING AND DISPLAY DEVICE USING THE SAME CANON INC 1993-10-12 JP disclosed
EP-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed