SCHEMBL9837944

SCHEMBL9837944

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP2C9 P11712 1/20 0.43
DGAT1 O75907 1/20 0.42
LMNA P02545 4/20 0.41
SLC18A3 Q16572 1/20 0.40
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SPHK1 Q9NYA1 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
GAA P10253 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL9837935 1.00 MAPT (0.46) MAPTALDH1A1MAPK1CYP2C9DGAT1
SCHEMBL6688383 0.91 CYP2C9 (0.40) MAPTALDH1A1MAPK1CYP2C9DGAT1
SCHEMBL9839371 0.86 CYP2C9 (0.56) MAPTALDH1A1MAPK1CYP2C9DGAT1
SCHEMBL9839369 0.86 CYP2C9 (0.56) MAPTALDH1A1MAPK1CYP2C9DGAT1
SCHEMBL4803860 0.86 CYP2C9 (0.50) MAPTALDH1A1MAPK1CYP2C9LMNA
SCHEMBL4803851 0.86 CYP2C9 (0.50) MAPTALDH1A1MAPK1CYP2C9LMNA
SCHEMBL8945521 0.86 POLB (0.42) MAPTALDH1A1MAPK1CYP2C9LMNA
SCHEMBL11048672 0.85 MAPT (0.49) MAPTALDH1A1MAPK1CYP2C9DGAT1
SCHEMBL11048678 0.85 MAPT (0.49) MAPTALDH1A1MAPK1CYP2C9DGAT1
SCHEMBL7723476 0.85 CYP2C9 (0.48) MAPTALDH1A1MAPK1CYP2C9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5030383-A With low temperature dependence of threshold voltage MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-07-09 US disclosed
EP-0258349-B1 ELECTRO-OPTICAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1990-05-23 EP disclosed
EP-0258349-A1 ELECTRO-OPTICAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1988-03-09 EP disclosed
WO-1987005318-A1 ELECTRO-OPTICAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-09-11 WO disclosed
US-4545922-A Liquid crystalline fluorine-containing cyclohexylbiphenyls and dielectrics and electro-optical display elements based thereon MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-10-08 US disclosed
EP-0051738-B1 CYCLOHEXYL-BIPHENYL DERIVATIVES THAT CONTAIN FLUOR, DIELECTRICS CONTAINING THEM AND ELECTRO-OPTICAL INDICATING ELEMENT MERCK PATENT GmbH (DE) 1984-07-25 EP disclosed
US-4415470-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-11-15 US disclosed
EP-0051738-A1 Cyclohexyl-biphenyl derivatives that contain fluor, dielectrics containing them and electro-optical indicating element MERCK PATENT GmbH (DE) 1982-05-19 EP disclosed