SCHEMBL8699014

SCHEMBL8699014

CCCCC(C)C(=O)O.[KH]

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.63
BLM P54132 1/20 0.56
CA2 P00918 1/20 0.54
MAPK1 P28482 1/20 0.54
GABRR1 P24046 2/20 0.52
CYP1A2 P05177 1/20 0.52
CA1 P00915 2/20 0.52
LTA4H P09960 1/20 0.50
GPR84 Q9NQS5 3/20 0.46
FFAR1 O14842 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL1532456 0.97
SCHEMBL22555 0.97
SCHEMBL1516556 0.97
SCHEMBL2733718 0.95 ACE2 (0.63) ACE2BLMCA2MAPK1GABRR1
SCHEMBL2732633 0.95 ACE2 (0.63) ACE2BLMCA2MAPK1GABRR1
SCHEMBL2732619 0.95 ACE2 (0.63) ACE2BLMCA2MAPK1GABRR1
SCHEMBL15129402 0.95 ACE2 (0.63) ACE2BLMCA2MAPK1GABRR1
SCHEMBL2732404 0.95 ACE2 (0.63) ACE2BLMCA2MAPK1GABRR1
SCHEMBL2732616 0.95 ACE2 (0.63) ACE2BLMCA2MAPK1GABRR1
SCHEMBL8031688 0.95 ACE2 (0.63) ACE2BLMCA2MAPK1GABRR1

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
CN-101218273-B Composition for forming water-blown rigid polyisocyanurate foam, process for producing water-blown rigid polyisocyanurate foam from the composition, and water-blown rigid polyisocyanurate foam obtained by the process NIPPON POLYURETHANE KOGYO K K 2011-01-05 CN disclosed
CN-101218273-A Composition for forming water-blown rigid polyisocyanurate foam, process for producing water-blown rigid polyisocyanurate foam from the composition, and water-blown rigid polyisocyanurate foam obtained by the process NIPPON POLYURETHANE KOGYO KK (JP) 2008-07-09 CN disclosed
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed