SCHEMBL9512425

SCHEMBL9512425

C=C(CC(O)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
TET2 Q6N021 3/20 0.47
TET3 O43151 1/20 0.47
TET1 Q8NFU7 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
KMO O15229 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
XBP1 P17861 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PTPRA P18433 1/20 0.41

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
SCHEMBL9512411 1.00 TSHR (0.47) TSHRTET2TET3TET1SMN1; SMN2
SCHEMBL18774256 0.85 LMNA (0.44) TSHRSMN1; SMN2MAOAMAOBLMNA
SCHEMBL5924980 0.83 TSHR (0.50) TSHRSMN1; SMN2MAOAMAOBLMNA
SCHEMBL7829505 0.80 KMT2A (0.54) TSHRSMN1; SMN2MAOAMAOBLMNA
SCHEMBL7829509 0.80 KMT2A (0.54) TSHRSMN1; SMN2MAOAMAOBLMNA
SCHEMBL6276435 0.79 TSHR (0.67) TSHRSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL8076205 0.79 TSHR (0.67) TSHRSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL4967701 0.79 TSHR (0.67) TSHRSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL29110220 0.79 KMT2A (0.55) TSHRSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL8647606 0.79 MAOA (0.48) TSHRSMN1; SMN2MAOAMAOBLMNA

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
CN-115677503-A Glyoxylic ester product and synthetic method and application thereof 中国石油化工股份有限公司 2023-02-03 CN disclosed
EP-0353053-B1 Catalytic process for producing optically active alpha-hydroxycarboxylates TAKASAGO PERFUMERY CO LTD (JP) 1993-10-20 EP disclosed
US-4965398-A Process for producing optically active alpha-hydroxycarboxylates TAKASAGO INTERNATIONAL CORPORATION (JP) 1990-10-23 US disclosed