SCHEMBL7166992

SCHEMBL7166992

NCCCCCC(N)CCCCCCCCCCCC(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
TRPA1 O75762 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
DNM1 Q05193 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
CPB2 Q96IY4 2/20 0.38
RNPEP Q9H4A4 1/20 0.37

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
SCHEMBL20813363 0.89 DNM1 (0.50) GSRTRPV1TRPA1CA12CA1
SCHEMBL6537035 0.89 DNM1 (0.50) GSRTRPV1TRPA1CA12CA1
SCHEMBL4265961 0.89
SCHEMBL76229 0.89 DNM1 (0.50) GSRTRPV1TRPA1CA12CA1
SCHEMBL13624933 0.89 DNM1 (0.50) GSRTRPV1TRPA1CA12CA1
SCHEMBL12811045 0.89 DNM1 (0.50) GSRTRPV1TRPA1CA12CA1
SCHEMBL16005367 0.89 DNM1 (0.50) GSRTRPV1TRPA1CA12CA1
SCHEMBL12760655 0.89 DNM1 (0.50) GSRTRPV1TRPA1CA12CA1
SCHEMBL6537047 0.87
SCHEMBL350445 0.87 DNM1 (0.53) GSRCA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040056390-A1 High gasoline permeation resistant plastic container CHINESE PETROLEUM CORP. (TW) 2004-03-25 US disclosed
US-6576181-B1 Modifying polyamide with alkylcarboxylated polyolefin compatibilizer; blow molding CHINESE PETROLEUM CORP. (TW) 2003-06-10 US disclosed