SCHEMBL6479544

SCHEMBL6479544

CC(O)(CC(=O)O)[C@H](N)C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
HIF1A Q16665 2/20 0.43
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.34
CPT2 P23786 2/20 0.34
FFAR1 O14842 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BHMT Q93088 3/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ACLY P53396 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL6130132 0.74 ALDH1A1 (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL6130129 0.74 ALDH1A1 (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL5478252 0.72 ADRA1A (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL6479538 0.71 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL22965333 0.70 HMGCR (0.55) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL20833282 0.69
SCHEMBL8117959 0.69 ALDH1A1 (0.36) TSHRALDH1A1GRIK1MAPTPTGS1
SCHEMBL20134685 0.69 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL5592257 0.68
SCHEMBL1218663 0.67

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-20050010284-A1 Method for decreasing bioprosthetic implant failure GREGORY KENTON W (US) 2005-01-13 US disclosed
US-20050010284-A1 Method for decreasing bioprosthetic implant failure GREGORY KENTON W (US) 2005-01-13 US disclosed