SCHEMBL7638690

SCHEMBL7638690

C=CCCCCCCN=C=O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.63
TSHR P16473 2/20 0.41
ABCC4 O15439 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LMNA P02545 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35

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
SCHEMBL1114742 1.00 TRPA1 (0.63) TRPA1TSHRABCC4MAPTALDH1A1
SCHEMBL7035016 1.00 TRPA1 (0.63) TRPA1TSHRABCC4MAPTALDH1A1
SCHEMBL30450365 1.00 TRPA1 (0.63) TRPA1TSHRABCC4MAPTALDH1A1
SCHEMBL9508576 1.00 TRPA1 (0.63) TRPA1TSHRABCC4MAPTALDH1A1
SCHEMBL29000385 0.98 TRPA1 (0.61) TRPA1TSHRABCC4MAPTALDH1A1
SCHEMBL28217747 0.98 TRPA1 (0.61) TRPA1TSHRABCC4MAPTALDH1A1
SCHEMBL5831239 0.98
SCHEMBL1825234 0.91
SCHEMBL10966299 0.88
Butadiene SCHEMBL28262474 0.83 TRPA1 (0.41) TRPA1

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-6384139-B1 PARTIALLY CROSSLINKED ELASTOMER COMPRISING REACTION PRODUCT OF FUNCTIONALIZED ELASTOMERIC ETHYLENE/ALPHA-OLEFIN INTERPOLYMER CONTAINING REACTIVE SUBSTITUENTS WITH CROSSLINKING AGENT CONTAINING TWO OR MORE DIFFERENT REACTIVE SUBSTITUENTS THE DOW CHEMICAL COMPANY 2002-05-07 US disclosed
EP-0910606-B1 ELASTOMERS, PROCESSES FOR THEIR MANUFACTURE, AND ARTICLES MADE FROM THESE ELASTOMERS DOW CHEMICAL CO (US) 2001-06-06 EP disclosed
EP-0910606-A1 ELASTOMERS, PROCESSES FOR THEIR MANUFACTURE, AND ARTICLES MADE FROM THESE ELASTOMERS THE DOW CHEMICAL COMPANY (US) 1999-04-28 EP disclosed
WO-1998002489-A1 ELASTOMERS, PROCESSES FOR THEIR MANUFACTURE, AND ARTICLES MADE FROM THESE ELASTOMERS THE DOW CHEMICAL COMPANY (US) 1998-01-22 WO disclosed