SCHEMBL2528048

SCHEMBL2528048

CCCCOC(=O)c1n[nH]c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
TSHR P16473 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 5/20 0.43
MAPT P10636 4/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
GLA P06280 1/20 0.42
ESR1 P03372 4/20 0.41

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
SCHEMBL2478193 0.81 TSHR (0.55) LMNATSHRCYP1A2CYP2C19CYP3A4
SCHEMBL553327 0.73 TSHR (0.50) LMNATSHRCYP3A4ALDH1A1HSD17B10
SCHEMBL1207051 0.72 SMYD3 (0.32) ALDH1A1HSD17B10KDM4E
SCHEMBL30060739 0.71 TSHR (0.49) LMNATSHRCYP1A2CYP2C19CYP3A4
SCHEMBL17705862 0.69 ALDH1A1 (0.52) LMNATSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL6256091 0.69 ALDH1A1 (0.42) LMNATSHRCYP1A2CYP2C19CYP3A4
SCHEMBL28891861 0.68 TSHR (0.58) LMNATSHRCYP1A2CYP2C19CYP3A4
SCHEMBL8805332 0.68 L3MBTL1 (0.55) LMNATSHRCYP1A2CYP2C19CYP3A4
SCHEMBL8805038 0.68 ESR1 (0.53) LMNATSHRCYP1A2CYP2C19CYP3A4
SCHEMBL28015988 0.68 PDE4D (0.72) LMNATSHRCYP1A2CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed