SCHEMBL8151776

SCHEMBL8151776

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.50
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
PLA2G2A P14555 1/20 0.32
PLA2G5 P39877 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8184931 0.83 TGFBR1 (0.50) TGFBR1ALDH1A1KDM4EPLA2G2APLA2G5
SCHEMBL8184915 0.83 TGFBR1 (0.50) TGFBR1ALDH1A1KDM4EPLA2G2APLA2G5
SCHEMBL7999217 0.81 TGFBR1 (0.52) TGFBR1TSHRALDH1A1PLA2G2APLA2G5
SCHEMBL7999214 0.81 TGFBR1 (0.52) TGFBR1TSHRALDH1A1PLA2G2APLA2G5
SCHEMBL472271 0.76 TGFBR1 (0.55) TGFBR1ALDH1A1KDM4ERXFP1SMN1; SMN2
SCHEMBL8184467 0.75 ALDH1A1 (0.58) TGFBR1ALDH1A1PLA2G2APLA2G5
SCHEMBL8184466 0.75 ALDH1A1 (0.58) TGFBR1ALDH1A1PLA2G2APLA2G5
Methyl Alcohol SCHEMBL28481001 0.74 TGFBR1 (0.53) TGFBR1ALDH1A1KDM4ERXFP1SMN1; SMN2
SCHEMBL15263906 0.74 TGFBR1 (0.53) TGFBR1ALDH1A1KDM4ERXFP1SMN1; SMN2
SCHEMBL18139413 0.73 TGFBR1 (0.57) TGFBR1ALDH1A1KDM4ERXFP1SMN1; SMN2

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
JP-10030007-A None JP disclosed
JP-2000336122-A CURABLE COMPOSITION CONTAINING (CO)POLYMER OF N-(METH) ACRYLOYL-β-HYDROXYASPARTIC ACID AND ITS CURED PRODUCT NIPPON KAYAKU CO LTD 2000-12-05 JP disclosed
JP-H1030007-A POLYMER OF N-(METH)ACRYLOYL-BETA-HYDROXY-ASPARTIC ACID OR ITS ALKYL ESTER NIPPON KAYAKU CO LTD 1998-02-03 JP disclosed