SCHEMBL7915941

SCHEMBL7915941

CCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCCCCF)CC4)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
ESR2 Q92731 3/20 0.40
SPHK1 Q9NYA1 8/20 0.38
GAA P10253 1/20 0.38
ESR1 P03372 1/20 0.35
CYP3A4 P08684 1/20 0.35
DGAT1 O75907 2/20 0.34
SOAT1 P35610 1/20 0.34
SPHK2 Q9NRA0 4/20 0.34

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
SCHEMBL7915943 1.00 CYP2C9 (0.50) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7916042 0.94 SPHK1 (0.44) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7916040 0.94 SPHK1 (0.44) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7916233 0.94 CYP2C9 (0.52) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7916238 0.94 CYP2C9 (0.52) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7912873 0.93 CYP2C9 (0.44) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7912868 0.93 CYP2C9 (0.44) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7910072 0.91 SPHK1 (0.44) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7910065 0.91 SPHK1 (0.44) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7912616 0.91 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1

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