SCHEMBL8636710

SCHEMBL8636710

CCC[C@H]1CC[C@H](C2=CCC(c3cc(F)c(F)c(F)c3)C=C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8636713 1.00 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8638766 0.93 CYP1A2 (0.30)
SCHEMBL8638764 0.93 CYP1A2 (0.30)
SCHEMBL8639864 0.92 MEN1 (0.32) MAPTMEN1KMT2A
SCHEMBL8639862 0.92 MEN1 (0.32) MAPTMEN1KMT2A
SCHEMBL8634985 0.91 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8634989 0.91 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8640107 0.91 GAA (0.32) MAPTMEN1KMT2A
SCHEMBL8639665 0.91 GAA (0.32) MAPTMEN1KMT2A
SCHEMBL8639614 0.91 GAA (0.32) MAPTMEN1KMT2A

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-0571652-B1 Liquid crystalline substituted dihydrobenzene derivatives CITIZEN WATCH CO LTD (JP) 1998-08-05 EP disclosed
US-5342546-A Liquid crystal compositions L.C.C. CONSULTANTS CO., LTD. (JP) 1994-08-30 US disclosed
EP-0571652-A1 Liquid crystalline substituted dihydrobenzene derivatives L.C.C. CONSULTANTS CO., LTD. (JP) 1993-12-01 EP disclosed