SCHEMBL5568378

SCHEMBL5568378

CCOC(=O)c1cc(C(=O)c2ccccc2C(=O)O)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
LMNA P02545 1/20 0.50
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL31114557 0.87 ALDH1A1 (0.51) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL1149883 0.86 ALDH1A1 (0.55) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL31570654 0.83 SMN1; SMN2 (0.65) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL23452267 0.82 ALDH1A1 (0.49) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL6242911 0.81 NOTUM (0.53) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL5568382 0.80 SMN1; SMN2 (0.50) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL2518047 0.78 BAZ2B (0.56) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL10940346 0.78 ALDH1A1 (0.48) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL1149220 0.77 ALDH1A1 (0.76) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL25219806 0.77 KMT2A (0.47) ALDH1A1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042288-B1 TRIPEPTIDYL PEPTIDASE INHIBITORS INST NAT SANTE RECH MED (FR) 2007-11-07 EP disclosed
US-6335360-B1 INDOLINE-2-CARBOXYLIC AMIDE DERIVATIVES; OBESITY, EATING AND PSYCHOLOGICAL DISORDERS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-01-01 US disclosed
EP-1042288-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-10-11 EP disclosed
WO-1999033801-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-07-08 WO disclosed