SCHEMBL29975802

SCHEMBL29975802

CS(=O)(=O)c1ccc(C[C@](N)(O)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.44
PTPN1 P18031 1/20 0.43
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ENPP2 Q13822 1/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 1/20 0.41
AKR1C3 P42330 1/20 0.40
GRIN2B Q13224 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GHSR Q92847 1/20 0.39
PTGS2 P35354 2/20 0.39

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
SCHEMBL27769567 0.78 EPHX2 (0.46) BLMPTPN1EPHX2NR1H4ENPP2
SCHEMBL8133933 0.77 ENPP2 (0.48) PTPN1EPHX2NR1H4ENPP2AKR1C3
SCHEMBL17768418 0.77 BLM (0.65) BLMSMN1; SMN2HIF1AKDM4EPTGS2
SCHEMBL28966331 0.77 BLM (0.65) BLMSMN1; SMN2HIF1AKDM4EPTGS2
SCHEMBL2336417 0.76 SMN1; SMN2 (0.67) BLMSMN1; SMN2HIF1A
SCHEMBL17498702 0.76 SMN1; SMN2 (0.67) BLMSMN1; SMN2HIF1A
SCHEMBL16816903 0.76 SMN1; SMN2 (0.67) BLMSMN1; SMN2HIF1A
SCHEMBL19953750 0.75 PTPN1 (0.42) PTPN1EPHX2NR1H4ENPP2PTGDR2
Acetone SCHEMBL12483000 0.75 SMN1; SMN2 (0.60) BLMSMN1; SMN2HIF1A
SCHEMBL6606841 0.75 EPHX2 (0.46) PTPN1EPHX2NR1H4ENPP2PTGDR2

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-11512303-B2 Engineered polypeptides and their applications in the synthesis of beta-hydroxy-alpha-amino acids ENZYMASTER (NINGBO) BIO-ENGINEERING CO., LTD. (CN) 2022-11-29 US disclosed
EP-3630798-B1 ENGINEERED ALDOLASE POLYPEPTIDES AND THEIR APPLICATIONS IN SYNTHESIS OF BETA-HYDROXY-ALPHA-AMINO ACIDS ENZYMASTER NINGBO BIO ENG CO LTD (CN) 2022-11-23 EP disclosed