SCHEMBL8104563

SCHEMBL8104563

CCCCC[C@H]1CC[C@H](c2ccc(C(=O)O)c(F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.47
RARA P10276 3/20 0.47
RARG P13631 2/20 0.47
CYP2C9 P11712 1/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PPARA Q07869 2/20 0.39
ACMSD Q8TDX5 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PPARG P37231 1/20 0.37
MAPK1 P28482 1/20 0.37
CFB P00751 1/20 0.37
KAT8 Q9H7Z6 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL5953754 1.00 RARB (0.47) RARBRARARARGCYP2C9MAPT
SCHEMBL10778707 0.99 RARB (0.49) RARBRARARARGCYP2C9MAPT
SCHEMBL10778701 0.99 RARB (0.49) RARBRARARARGCYP2C9MAPT
SCHEMBL7736072 0.91 CYP2C9 (0.53) RARBRARARARGCYP2C9MAPT
SCHEMBL7736071 0.91 CYP2C9 (0.53) RARBRARARARGCYP2C9MAPT
SCHEMBL10780906 0.90 CYP2C9 (0.44) RARBRARARARGCYP2C9MAPT
Hydrochloric Acid SCHEMBL8066411 0.90 CYP2C9 (0.52) RARBRARARARGCYP2C9MAPT
Hydrochloric Acid SCHEMBL8066406 0.90 CYP2C9 (0.52) RARBRARARARGCYP2C9MAPT
SCHEMBL10524705 0.90 CYP2C9 (0.52) RARBRARARARGCYP2C9MAPT
SCHEMBL9827929 0.90 CYP2C9 (0.52) RARBRARARARGCYP2C9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628532-B1 Fluorobenzole derivatives and mesomorphous medium MERCK PATENT GMBH (DE) 2000-01-19 EP disclosed
US-5641429-A STABLE COMPOUNDS HAVING LOW VISCOSITY AND HIGH DIELECTRIC ANISOTROPY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-06-24 US disclosed
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
EP-0441932-B1 FLUOROBENZOLE DERIVATIVES AND MESOMORPHOUS MEDIUM MERCK PATENT GMBH (DE) 1995-03-15 EP disclosed
EP-0628532-A1 Fluorobenzole derivatives and mesomorphous medium MERCK PATENT GmbH (DE) 1994-12-14 EP disclosed
EP-0469800-A2 Ferroelectric liquid crystal composition and liquid crystal device comprising the same SHARP KABUSHIKI KAISHA (JP) 1992-02-05 EP disclosed
WO-1991003450-A1 FLUOROBENZOLE DERIVATIVES AND MESOMORPHOUS MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-21 WO disclosed