SCHEMBL6893874

SCHEMBL6893874

C=C(C(=O)OC)C1CCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
MCHR1 Q99705 4/20 0.41
NPBWR1 P48145 3/20 0.41
SLC6A3 Q01959 1/20 0.40
DHODH Q02127 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9449526 0.96 MAPT (0.49) MAPTMCHR1NPBWR1SLC6A3
SCHEMBL3885054 0.85 MAPT (0.61) MAPTALDH1A1MAPK1MCHR1NPBWR1
SCHEMBL19436600 0.81 MAPT (0.50) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL3554528 0.80 MAPT (0.48) MAPTALDH1A1MAPK1MCHR1NPBWR1
SCHEMBL7913532 0.80 SMN1; SMN2 (0.46) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10488320 0.80 CTSS (0.40)
SCHEMBL3552397 0.79 MAPT (0.56) MAPTALDH1A1MAPK1MCHR1NPBWR1
SCHEMBL3552399 0.79 MAPT (0.56) MAPTALDH1A1MAPK1MCHR1NPBWR1
SCHEMBL9660476 0.79 MAPT (0.56) MAPTALDH1A1MAPK1MCHR1NPBWR1
SCHEMBL28149835 0.79 MAPT (0.44) MAPTALDH1A1MAPK1MCHR1NPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4835277-A Acrylic pyrrolidine or piperidine HOECHST CELANESE CORPORATION (US) 1989-05-30 US claimed
EP-1093454-B1 CHIRAL COMPOUNDS AND THEIR USE AS DOPING AGENTS IN LIQUID CRYSTALS ROLIC AG (CH) 2004-09-22 EP disclosed
US-6569356-B1 Chiral compounds and their use as doping agents in liquid crystals ROLIC AG (CH) 2003-05-27 US disclosed
US-4835277-A Acrylic pyrrolidine or piperidine HOECHST CELANESE CORPORATION (US) 1989-05-30 US disclosed
US-4804255-A Acrylic polymers exhibiting chiral and nonlinear optical properties HOECHST CELANESE CORP. (US) 1989-02-14 US disclosed
US-4755574-A Acrylic polymers exhibiting chiral and nonlinear optical properties HOECHST CELANESE CORPORATION (US) 1988-07-05 US disclosed