SCHEMBL7913581

SCHEMBL7913581

COCCOC1CCC(c2ccc(-c3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
CD38 P28907 1/20 0.31
IDO1 P14902 1/20 0.31
MCHR1 Q99705 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
SCHEMBL7913544 0.90 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL7911145 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL7917331 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL7914122 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL7917616 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL7914007 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL7917443 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL7913576 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL7911165 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL7911025 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1HPGDKMT2A

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