SCHEMBL6563877

SCHEMBL6563877

CCC[C@H]1CC[C@H](c2ccc(C(=O)O)c(-c3ccc(C(=O)O[C@H](C)CC(CC)CC)cc3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR1 P21453 4/20 0.36
PPARG P37231 4/20 0.33
S1PR5 Q9H228 3/20 0.33
PTPN11 Q06124 1/20 0.32
S1PR3 Q99500 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SRD5A2 P31213 1/20 0.31
APP P05067 1/20 0.31
HCRTR1 O43613 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
SCHEMBL6563557 0.89 CYP2C9 (0.36) CYP2C9LMNAALDH1A1MAPTMEN1
SCHEMBL6563876 0.80 CYP2C9 (0.50) CYP2C9LMNAALDH1A1MAPTMEN1
SCHEMBL7238909 0.79 CYP2C9 (0.46) CYP2C9LMNAALDH1A1MAPTMEN1
SCHEMBL7238911 0.79 CYP2C9 (0.46) CYP2C9LMNAALDH1A1MAPTMEN1
SCHEMBL20594618 0.78 CYP2C9 (0.42) CYP2C9LMNAALDH1A1MAPTMEN1
SCHEMBL7510571 0.77 CYP2C9 (0.47) CYP2C9LMNAALDH1A1MAPTMEN1
SCHEMBL8045331 0.77 CYP2C9 (0.47) CYP2C9LMNAALDH1A1MAPTMEN1
SCHEMBL6563555 0.77 CYP2C9 (0.43) CYP2C9LMNAALDH1A1MAPTMEN1
SCHEMBL7231470 0.77 CYP2C9 (0.48) CYP2C9LMNAALDH1A1MAPTMEN1
SCHEMBL7231472 0.77 CYP2C9 (0.48) CYP2C9LMNAALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225212-B1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL CO (JP) 2004-03-24 EP disclosed
US-6677475-B2 FOR USE IN LIQUID CRYSTAL DISPLAY DEVICE MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-01-13 US disclosed
EP-1225212-A1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-07-24 EP disclosed