SCHEMBL28065494

SCHEMBL28065494

C=C(CCOc1ccc(C=O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
PPARA Q07869 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALB P02768 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
CYP2A6 P11509 1/20 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
SCHEMBL3873305 0.88 L3MBTL1 (0.53) ALDH1A1MAPTLMNAL3MBTL1PARP10
SCHEMBL2562113 0.83 L3MBTL1 (0.62) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL23302217 0.81 L3MBTL1 (0.47) MAPTLMNAL3MBTL1
SCHEMBL44088 0.81 CYP1A2 (0.54) ALDH1A1SMN1; SMN2KMT2APARP10
SCHEMBL1416511 0.80 KMT2A (0.48) ALDH1A1HPGDKMT2APPARAL3MBTL1
SCHEMBL21678027 0.80 ALDH1A1 (0.54) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL4642352 0.79 KMT2A (0.66) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL28071918 0.79 MMP3 (0.62)
SCHEMBL1250574 0.78 PPARA (0.64) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL2558719 0.78 ALDH1A1 (0.51) ALDH1A1MAPTHPGDLMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105566021-A Preparation method of alpha, beta-unsaturated carboxylic acid compounds UNIV SCIENCE & TECH CHINA 2016-05-11 CN disclosed