SCHEMBL9822666

SCHEMBL9822666

CCS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCC2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PARP1 P09874 1/20 0.35
BRD4 O60885 3/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM1 Q13255 2/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KIF18A Q8NI77 1/20 0.32

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
SCHEMBL9868166 0.85 KEAP1 (0.33) KEAP1NFE2L2PARP1KDM4ESMN1; SMN2
SCHEMBL9868204 0.83 PARP1 (0.36) KEAP1NFE2L2PARP1KDM4ESMN1; SMN2
SCHEMBL9822823 0.83 PNMT (0.35) KEAP1NFE2L2PARP1KDM4ESMN1; SMN2
SCHEMBL10964226 0.83 MEN1 (0.45) KEAP1NFE2L2PARP1KDM4ESMN1; SMN2
SCHEMBL10369313 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9822911 0.81 PGR (0.34) KEAP1NFE2L2BRD4KDM4EALDH1A1
SCHEMBL11270751 0.79 ALDH1A1 (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL7395597 0.77 PARP1 (0.40) PARP1KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL7394964 0.76 DRD2 (0.42) PARP1KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL9822704 0.75

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1062144-A The preparation method of benzodihydropyran carboxamide derivatives DELAGRANGE LAB (FR) 1992-06-24 CN claimed
EP-0231139-B1 DIHYDROBENZOFURANE AND CHROMANE CARBOXAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS NEUROLEPTICS Laboratoires DELAGRANGE (FR) 1991-12-04 EP claimed
CN-1062144-A The preparation method of benzodihydropyran carboxamide derivatives DELAGRANGE LAB (FR) 1992-06-24 CN disclosed
US-5006570-A Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics LABORATOIRES DELAGRANGE (FR) 1991-04-09 US disclosed
CN-87100978-A Dihydrobenzofuran-and chroman-carboxamide derivatives, processes for their preparation and their use as neuroleptics 1987-09-16 CN disclosed