SCHEMBL8623732

SCHEMBL8623732

CCNC(=O)CNc1ccccc1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
HTT P42858 3/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 7/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 4/20 0.49
RAB9A P51151 2/20 0.47
STAT1 P42224 1/20 0.47
MAPK10 P53779 1/20 0.46
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL8555205 0.87 ALDH1A1 (0.54) ALDH1A1HTTHPGDNPSR1L3MBTL1
SCHEMBL1784054 0.84 ALDH1A1 (0.59) ALDH1A1HTTHPGDNPSR1L3MBTL1
Dimethylamine SCHEMBL1788162 0.83 ALDH1A1 (0.55) ALDH1A1HTTHPGDNPSR1L3MBTL1
SCHEMBL11790901 0.82 ALDH1A1 (0.58) ALDH1A1HTTHPGDNPSR1L3MBTL1
SCHEMBL10333082 0.81 ALDH1A1 (0.56) ALDH1A1HTTHPGDNPSR1L3MBTL1
SCHEMBL9299532 0.81 ALDH1A1 (0.56) ALDH1A1HTTHPGDNPSR1L3MBTL1
SCHEMBL1782357 0.81 ALDH1A1 (0.52) ALDH1A1HTTHPGDNPSR1L3MBTL1
SCHEMBL10611327 0.80 ALDH1A1 (0.49) ALDH1A1HTTHPGDNPSR1L3MBTL1
SCHEMBL8753633 0.79 ALDH1A1 (0.56) ALDH1A1HTTHPGDNPSR1L3MBTL1
SCHEMBL24013287 0.78 ALDH1A1 (0.63) ALDH1A1HTTHPGDNPSR1L3MBTL1

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
EP-0712838-B1 ACYLPHENYLGLYCINE DERIVATIVE AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY INCREASED COLLAGENASE ACTIVITY CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD (JP) 1998-11-04 EP disclosed
US-5795891-A RHEUMATOID ARTHRITIS, OSTEOPOROSIS, HYPERCALCEMIA KANEBO LTD. (JP) 1998-08-18 US disclosed
EP-0712838-A1 ACYLPHENYLGLYCINE DERIVATIVE AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY INCREASED COLLAGENASE ACTIVITY CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD. (JP) 1996-05-22 EP disclosed