SCHEMBL11111540

SCHEMBL11111540

CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3[N+](=O)[O-])cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
ESR2 Q92731 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DGAT1 O75907 2/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
SPHK1 Q9NYA1 5/20 0.34
SOAT1 P35610 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
S1PR3 Q99500 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
SCHEMBL11111534 1.00 CYP2C9 (0.39) CYP2C9MAPTALDH1A1LMNAESR2
SCHEMBL10944220 0.93 SPHK1 (0.34) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10944228 0.93 SPHK1 (0.34) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL11108266 0.93 CYP2C9 (0.39) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL11108270 0.93 CYP2C9 (0.39) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10948432 0.91 SPHK1 (0.37) CYP2C9MAPTALDH1A1LMNADGAT1
SCHEMBL10948427 0.91 SPHK1 (0.37) CYP2C9MAPTALDH1A1LMNADGAT1
SCHEMBL7672341 0.85 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNAESR2
SCHEMBL7672347 0.85 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNAESR2
SCHEMBL11110515 0.83 TSHR (0.41) CYP2C9MAPTALDH1A1LMNAMEN1

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-0064193-B1 4,4'-BIS-(CYCLOHEXYL)-BIPHENYL DERIVATIVES THAT CONTAIN FLUORINE, DIELECTRICS CONTAINING THEM, AND ELECTRO-OPTICAL INDICATOR ELEMENT MERCK PATENT GmbH (DE) 1984-07-25 EP disclosed
US-4419264-A Fluorine-containing 4,4'-bis-(cyclohexyl)-biphenyl derivatives, and dielectrics and electro-optical display elements containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-12-06 US disclosed
EP-0064193-A1 4,4'-Bis-(cyclohexyl)-biphenyl derivatives that contain fluorine, dielectrics containing them, and electro-optical indicator element MERCK PATENT GmbH (DE) 1982-11-10 EP disclosed