SCHEMBL6553368

SCHEMBL6553368

O=C1NC(=O)c2c3ccc1c2CCCCCC3

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.67
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CES1 P23141 5/20 0.41
PPOX P50336 1/20 0.36
CTRC Q99895 1/20 0.36
TDP2 O95551 3/20 0.35
GSK3B P49841 1/20 0.34

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
SCHEMBL17017132 0.80 PARP1 (1.00) PARP1CDK4CCND1CES1PPOX
SCHEMBL6340545 0.72 PARP1 (0.79) PARP1CDK4CCND1CES1PPOX
SCHEMBL14463611 0.69 PARP1 (0.59) PARP1PPOXTDP2GSK3B
SCHEMBL2951374 0.68 PARP1 (0.53) PARP1PPOXGSK3B
SCHEMBL2254584 0.68 PARP1 (0.53) PARP1CDK4CCND1CES1CTRC
SCHEMBL17425970 0.68 CDC25B (0.56) PARP1PPOXTDP2GSK3B
SCHEMBL19116380 0.66 CYP19A1 (0.49) PARP1CES1
SCHEMBL16939655 0.66 CES1 (0.62) PARP1CES1TDP2
SCHEMBL3092491 0.66 PARP1 (0.39) PARP1CES1
SCHEMBL11880591 0.65 PARP1 (0.48) PARP1PPOXTDP2GSK3B

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
EP-0922732-B1 Thermoplastic elastomer triblend from an engineering thermoplastic, functionalized ethylene and or diene polymer, and brominated isobutylene P-methylstyrene copolymer ADVANCED ELASTOMER SYSTEMS (US) 2004-02-25 EP disclosed
US-6069202-A IMPROVED HIGH TEMPERATURE PERFORMANCE WHILE RETAINING EXCELLENT ELONGATION CHARACTERISTICS ADVANCED ELASTOMER SYSTEMS, L.P. (US) 2000-05-30 US disclosed
EP-0922732-A2 Thermoplastic elastomer triblend from an engineering thermoplastic, functionalized ethylene and or diene polymer, and brominated isobutylene P-methylstyrene copolymer Advanced Elastomer Systems, L.P. (US) 1999-06-16 EP disclosed
EP-0329555-A1 Thermally stabilized blends of polyamide and polyphenylene ether GE CHEMICALS, INC. (US) 1989-08-23 EP disclosed