SCHEMBL7907532

SCHEMBL7907532

CCC(C)C(=O)O.CCCCC(C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.59
CA2 P00918 2/20 0.56
MAPK1 P28482 1/20 0.56
BLM P54132 1/20 0.52
CA1 P00915 3/20 0.48
GABRR1 P24046 2/20 0.48
CYP1A2 P05177 1/20 0.48
LTA4H P09960 1/20 0.47
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42

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 0.93
SCHEMBL1516556 0.93
SCHEMBL22555 0.93
SCHEMBL15129402 0.91 ACE2 (0.63) ACE2CA2MAPK1BLMCA1
SCHEMBL2732404 0.91 ACE2 (0.63) ACE2CA2MAPK1BLMCA1
SCHEMBL15129236 0.91 ACE2 (0.63) ACE2CA2MAPK1BLMCA1
SCHEMBL8031688 0.91 ACE2 (0.63) ACE2CA2MAPK1BLMCA1
SCHEMBL2732616 0.91 ACE2 (0.63) ACE2CA2MAPK1BLMCA1
SCHEMBL17627179 0.91 ACE2 (0.63) ACE2CA2MAPK1BLMCA1
SCHEMBL8699014 0.91 ACE2 (0.63) ACE2CA2MAPK1BLMCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160848-A2 Composition for silica-based film formation JSR Corporation (JP) 2001-12-05 EP disclosed