SCHEMBL7911208

SCHEMBL7911208

CCCC1CCC(c2ccc(C#Cc3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACACB O00763 7/20 0.33
ESR2 Q92731 1/20 0.32
DRD2 P14416 1/20 0.32
IDO1 P14902 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 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
SCHEMBL7917364 0.93 CYP2C9 (0.46) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL7911190 0.92 ALDH1A1 (0.36) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL7914081 0.92 ALDH1A1 (0.39) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL7912009 0.90 CYP2C9 (0.43) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL7913245 0.90 CYP2C9 (0.43) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL7914087 0.90 CYP2C9 (0.43) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL7911249 0.87 CYP2C9 (0.41) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL7911191 0.86 CYP2C9 (0.41) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL7911193 0.86 CYP2C9 (0.41) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL7911877 0.86 CYP2C9 (0.41) CYP2C9ALDH1A1MAPTMEN1KMT2A

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-0640578-B2 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition CHISSO CORP (JP) 2001-06-27 EP disclosed
EP-0640578-B1 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition CHISSO CORP (JP) 1997-11-05 EP disclosed
EP-0640578-A1 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition Chisso Corporation (JP) 1995-03-01 EP disclosed