SCHEMBL4059119

SCHEMBL4059119

CCCC(C)(O)/C(=C\I)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.32
FDPS P14324 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL4059127 1.00 TET2 (0.32) TET2FDPSALDH1A1LMNAHSD17B10
SCHEMBL4052214 0.80
SCHEMBL4052219 0.80
SCHEMBL1501596 0.74
SCHEMBL381512 0.74
SCHEMBL4301113 0.74
SCHEMBL28401151 0.72 ALDH1A1 (0.45) TET2FDPSALDH1A1LMNAHSD17B10
SCHEMBL4629249 0.72 ALDH1A1 (0.45) TET2ALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL4629251 0.72 ALDH1A1 (0.45) TET2ALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL4056674 0.71 HMGCR (0.30) HMGCRCHRM1TBXA2RADRA1A

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
WO-2009110655-A1 NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2009-09-11 WO claimed
WO-2009110655-A1 NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2009-09-11 WO disclosed