SCHEMBL7913544

SCHEMBL7913544

COCOC1CCC(c2ccc(-c3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7917331 0.96 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10KDM4EMEN1
SCHEMBL7917616 0.93 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10KDM4EMEN1
SCHEMBL7914122 0.90 ALDH1A1 (0.37) ALDH1A1TSHRHSD17B10KDM4EMEN1
SCHEMBL7913581 0.90 ALDH1A1 (0.37) ALDH1A1TSHRHSD17B10KDM4EMEN1
SCHEMBL8834342 0.87 FFAR4 (0.32)
SCHEMBL7913753 0.86 HTR2C (0.31) L3MBTL1
SCHEMBL8833964 0.85 NAAA (0.37)
SCHEMBL7914007 0.84 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10KDM4EMEN1
SCHEMBL7912197 0.84 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10KDM4EMEN1
SCHEMBL7911179 0.83 ALDH1A1 (0.37) ALDH1A1TSHRHSD17B10

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