SCHEMBL6479538

SCHEMBL6479538

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

nearest known ligand 0.46

Predicted protein targets (top 18)

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 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 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
ACLY P53396 3/20 0.33
TET2 Q6N021 1/20 0.32
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL6479544 0.71 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL22965333 0.70 HMGCR (0.55) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL8823183 0.69
SCHEMBL8581488 0.69 KDM4E (0.62) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL4624372 0.69 KDM4E (0.62) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL20134685 0.69 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28632313 0.67 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437052-A Method for synthesizing statin intermediate by using continuous flow microchannel reactor 江苏福瑞康泰药业有限公司 2022-05-06 CN disclosed
CN-113599467-A Tibetan red yeast, Tibetan medicine red yeast extract, preparation method and application 西藏月王药诊生态藏药科技有限公司 2021-11-05 CN disclosed
CN-113474373-A Novel anti-factor XI humanized antibody with antithrombotic and anti-inflammatory effects and application thereof 阿罗诺拉股份有限公司 2021-10-01 CN disclosed
CN-110484562-B Method for improving sterol content of rice by using ginseng transcription factor 福建农林大学 2020-09-25 CN disclosed
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