SCHEMBL6667523

SCHEMBL6667523

C/C=C/[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 16/20 0.34
RORC P51449 1/20 0.33
DAO P14920 1/20 0.32
AOC3 Q16853 1/20 0.32
CACNA1H O95180 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
SCHEMBL6664889 0.89
SCHEMBL6665743 0.89 RORC (0.33) KDM1ARORCDAOAOC3
SCHEMBL6661317 0.86 AOC3 (0.35) KDM1ARORCDAOAOC3CACNA1H
SCHEMBL6666044 0.85 DAO (0.32) KDM1ADAO
SCHEMBL6665194 0.85 HSD11B1 (0.38)
SCHEMBL6665069 0.85 SPHK1 (0.34)
SCHEMBL6661202 0.85 ALDH1A1 (0.37) KDM1ARORCDAOAOC3
SCHEMBL6662858 0.84 P2RX7 (0.33) CACNA1H
SCHEMBL6662010 0.83 FFAR4 (0.32)
SCHEMBL6667528 0.83 RORC (0.33) KDM1ARORCCACNA1H

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed