SCHEMBL14445672

SCHEMBL14445672

CC(CCCCCCI)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
TAAR1 Q96RJ0 3/20 0.47
TRPA1 O75762 4/20 0.43
AOC3 Q16853 2/20 0.42
SIGMAR1 Q99720 1/20 0.39
SLC7A5 Q01650 1/20 0.38

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
SCHEMBL27577135 0.83 RIPK1 (0.53) RIPK1TAAR1TRPA1AOC3SIGMAR1
SCHEMBL7492813 0.83 RIPK1 (0.57) RIPK1TAAR1TRPA1AOC3
SCHEMBL7492810 0.83 RIPK1 (0.57) RIPK1TAAR1TRPA1AOC3
SCHEMBL1412787 0.82 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3SIGMAR1
SCHEMBL1299997 0.82 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3SIGMAR1
SCHEMBL508056 0.82 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3SIGMAR1
SCHEMBL3080030 0.82 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3SIGMAR1
SCHEMBL1581397 0.82 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3SIGMAR1
SCHEMBL16167034 0.82 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3SIGMAR1
SCHEMBL1144320 0.82 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3SIGMAR1

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-7238832-B2 Production method of a coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-03 US disclosed
US-7238832-B2 Production method of a coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-03 US disclosed