SCHEMBL8605152

SCHEMBL8605152

CCCCCCC(OCc1ccc(C(=O)O)cc1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G4B P0C869 3/20 0.46
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42

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
SCHEMBL9410373 0.85 ESR1 (0.47) ALDH1A1MAPTTP53
SCHEMBL30494129 0.84 BDKRB2 (0.41) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9222370 0.82 TP53 (0.48) RARBALDH1A1MEN1RARAMAPT
SCHEMBL8536761 0.82 TP53 (0.48) RARBALDH1A1MEN1RARAMAPT
SCHEMBL20427410 0.81 RARB (0.52) RARBALDH1A1MEN1RARAMAPT
SCHEMBL25340001 0.81 LMNA (0.40) ALDH1A1KMT2ATP53
SCHEMBL9428269 0.81 CYP3A4 (0.35) ALDH1A1TP53
SCHEMBL25339998 0.81 LMNA (0.40) ALDH1A1KMT2ATP53
SCHEMBL9470634 0.80 RARB (0.50) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9462364 0.79 RARB (0.51) RARBALDH1A1MEN1RARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3236346-A None JP disclosed
EP-0599289-B1 Mesomorphic compound, liquid crystal composition and liquid crystal device CANON KK (JP) 1998-03-18 EP disclosed
US-5690858-A POLYCYCLIC (POLY)SILOXANE COMPOUND; IMPACT STRENGTH CANON KABUSHIKI KAISHA (JP) 1997-11-25 US disclosed
EP-0498277-B1 Optically active benzthiazoles, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1995-10-18 EP disclosed
EP-0599289-A1 Mesomorphic compound, liquid crystal composition and liquid crystal device CANON KABUSHIKI KAISHA (JP) 1994-06-01 EP disclosed
US-5194177-A Trifluoromethylalkyl ethers of benzothiazolebenzyl compounds CANON KABUSHIKI KAISHA (JP) 1993-03-16 US disclosed
EP-0498277-A1 Optically active benzthiazoles, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1992-08-12 EP disclosed
JP-H03236346-A OPTICALLY ACTIVE SUBSTANCE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME YAMAKAWA YAKUHIN KOGYO KK 1991-10-22 JP disclosed