SCHEMBL7912890

SCHEMBL7912890

CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCCF)CC4)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SPHK1 Q9NYA1 11/20 0.42
GAA P10253 1/20 0.41
ESR2 Q92731 2/20 0.41
SPHK2 Q9NRA0 7/20 0.37

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
SCHEMBL7912886 1.00 CYP2C9 (0.44) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7910072 0.98 SPHK1 (0.44) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7910065 0.98 SPHK1 (0.44) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7916042 0.95 SPHK1 (0.44) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7916040 0.95 SPHK1 (0.44) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7912873 0.94 CYP2C9 (0.44) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7912868 0.94 CYP2C9 (0.44) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7916238 0.92 CYP2C9 (0.52) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7916233 0.92 CYP2C9 (0.52) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL4803860 0.92 CYP2C9 (0.50) CYP2C9MAPTMEN1KMT2AALDH1A1

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
US-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed