SCHEMBL3071856

SCHEMBL3071856

CC(=S)C=C(C)NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
SIGMAR1 Q99720 2/20 0.42
POLB P06746 1/20 0.42
EPHX1 P07099 5/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
EPHX2 P34913 1/20 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
SCHEMBL3071855 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL3069802 0.79 EPHX1 (0.52) ALDH1A1CYP3A4SMN1; SMN2GAANPC1
SCHEMBL3069805 0.79 EPHX1 (0.52) ALDH1A1CYP3A4SMN1; SMN2GAANPC1
SCHEMBL18583984 0.78 SIGMAR1 (0.48) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL19588524 0.78 SIGMAR1 (0.48) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL18584063 0.78 SIGMAR1 (0.48) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL21647247 0.78 NPC1 (0.53) ALDH1A1CYP3A4SMN1; SMN2GAANPC1
SCHEMBL19066271 0.77 EPHX1 (0.48) ALDH1A1CYP3A4SMN1; SMN2GAANPC1
SCHEMBL19066273 0.77 EPHX1 (0.48) ALDH1A1CYP3A4SMN1; SMN2GAANPC1
SCHEMBL11055766 0.76 NPC1 (0.52) ALDH1A1CYP3A4SMN1; SMN2GAANPC1

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
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO 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-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed