SCHEMBL7912696

SCHEMBL7912696

CCC[C@H]1CC[C@H](c2ccc(CCc3ccc([C@H]4CC[C@H](CCCCCF)CC4)cc3F)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SPHK1 Q9NYA1 5/20 0.33
PANK3 Q9H999 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
GAA P10253 1/20 0.32
ESR2 Q92731 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
S1PR3 Q99500 1/20 0.30
SPHK2 Q9NRA0 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL7912701 1.00 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7912862 0.85 CYP2C9 (0.35) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7912856 0.85 CYP2C9 (0.35) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7910900 0.83 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7910897 0.83 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7916037 0.82 SPHK1 (0.37) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7916034 0.82 SPHK1 (0.37) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10409026 0.82 CYP2C9 (0.44) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10409027 0.82 CYP2C9 (0.44) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9150987 0.82 CYP2C9 (0.44) 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