SCHEMBL3071567

SCHEMBL3071567

N=C(NC(N)=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.39
NAAA Q02083 1/20 0.37
CA2 P00918 1/20 0.37
CYP19A1 P11511 2/20 0.36
EPHX2 P34913 2/20 0.35
HTT P42858 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
EPHX1 P07099 3/20 0.34
CYP17A1 P05093 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 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
SCHEMBL3078748 0.85 NAAA (0.36) ALDH1A1NAAACA2CYP19A1EPHX2
SCHEMBL3071564 0.81 NAAA (0.45) LMNAALDH1A1TSHRNPC1NAAA
SCHEMBL113024 0.74 CYP19A1 (0.42) LMNAALDH1A1TSHRNPC1NAAA
Hydrochloric Acid SCHEMBL27804949 0.72 EPHX1 (0.41) LMNAALDH1A1TSHRNPC1NAAA
SCHEMBL27571638 0.71 CYP19A1 (0.40) ALDH1A1TSHRNPC1NAAACA2
SCHEMBL10400519 0.70 CYP19A1 (0.42) ALDH1A1TSHRNAAACA2CYP19A1
SCHEMBL28165311 0.69 NAAA (0.47) LMNAALDH1A1TSHRNPC1NAAA
SCHEMBL865315 0.69 NPSR1 (0.48) ALDH1A1TSHRNAAACA2CYP19A1
SCHEMBL27736443 0.69 CYP19A1 (0.44) ALDH1A1TSHRNAAACA2CYP19A1
SCHEMBL27436848 0.69 CYP19A1 (0.53) ALDH1A1TSHRNAAACA2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed