SCHEMBL9304940

SCHEMBL9304940

CCOC(=O)OC(C)OC(=O)/C=C/C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.58
ALDH1A1 P00352 3/20 0.40
SOAT1 P35610 1/20 0.38
MDM4 O15151 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MDM2 Q00987 1/20 0.33
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 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
SCHEMBL28625721 0.86 HCAR2 (0.45) HCAR2ALDH1A1SOAT1MDM4LMNA
SCHEMBL2609725 0.86 HCAR2 (0.45) HCAR2ALDH1A1SOAT1MDM4LMNA
SCHEMBL28404629 0.81 ALDH1A1 (0.60) HCAR2ALDH1A1SOAT1LMNAMAPT
SCHEMBL2897728 0.80 HCAR2 (0.59) HCAR2ALDH1A1LMNAMAPTGAA
SCHEMBL2114194 0.80 HCAR2 (0.70) HCAR2ALDH1A1MAPTGAAATM
SCHEMBL4880509 0.80 HCAR2 (0.59) HCAR2ALDH1A1LMNAMAPTGAA
SCHEMBL1965839 0.80 HCAR2 (0.70) HCAR2ALDH1A1MAPTGAAATM
SCHEMBL20562242 0.79 HCAR2 (0.62) HCAR2ALDH1A1MDM4LMNAMAPT
SCHEMBL20561334 0.79 HCAR2 (0.62) HCAR2ALDH1A1MDM4LMNAMAPT
SCHEMBL20562241 0.79 HCAR2 (0.62) HCAR2ALDH1A1MDM4LMNAMAPT

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-5352692-A Thiophene-2-carboxylic acid derivatives LAEVOSAN GESELLSCHAFT M. B. H. (AT) 1994-10-04 US claimed
US-5352692-A Thiophene-2-carboxylic acid derivatives LAEVOSAN GESELLSCHAFT M. B. H. (AT) 1994-10-04 US disclosed