SCHEMBL6542341

SCHEMBL6542341

NCCCCCC(N)C[C]=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.40
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
DNM1 Q05193 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
CPB2 Q96IY4 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
TRPA1 O75762 1/20 0.34
RNPEP Q9H4A4 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
SCHEMBL8726615 0.91
SCHEMBL9398462 0.80 S1PR2 (0.48) LMNABLM
SCHEMBL676903 0.77 OPRM1 (0.46) LMNABLM
SCHEMBL28089322 0.77 CA12 (0.36) GSRCA12CA1CA2CA3
SCHEMBL28575182 0.77 CA12 (0.36) GSRCA12CA1CA2CA3
SCHEMBL9474735 0.77 CA12 (0.36) GSRCA12CA1CA2CA3
SCHEMBL18838779 0.77 CA12 (0.36) GSRCA12CA1CA2CA3
SCHEMBL16696692 0.77 DNM1 (0.53) GSRCA12CA1CA2CA3
SCHEMBL351453 0.77 DNM1 (0.53) GSRCA12CA1CA2CA3
SCHEMBL350445 0.77 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421386-A4 HIGH CAPACITY ASSAY PLATFORMS SIGMA ALDRICH CO (US) 2004-08-18 EP disclosed
EP-1421386-A2 HIGH CAPACITY ASSAY PLATFORMS Sigma-Aldrich Company (US) 2004-05-26 EP disclosed
WO-2002092834-A2 HIGH CAPACITY ASSAY PLATFORMS SIGMA-ALDRICH CO. (US) 2002-11-21 WO disclosed