SCHEMBL7988103

SCHEMBL7988103

Cc1cc(C)c(NC(=O)C(=O)O)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
METAP2 P50579 1/20 0.53
KDM4E B2RXH2 1/20 0.50
GPR35 Q9HC97 2/20 0.47
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN1 P18031 3/20 0.40
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPRA P18433 1/20 0.40
PTPRB P23467 1/20 0.40
PTPRE P23469 1/20 0.40
PTPN6 P29350 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL18795896 0.87 ALDH1A1 (0.70) ALDH1A1GPR35LMNAMEN1MAPT
SCHEMBL8529460 0.84 METAP2 (0.54) ALDH1A1METAP2KDM4ELMNAGAA
SCHEMBL5094596 0.79 METAP2 (0.57) ALDH1A1METAP2KDM4ELMNAGAA
SCHEMBL22636382 0.78 ALDH1A1 (0.57) ALDH1A1METAP2KDM4ELMNAMEN1
SCHEMBL2404797 0.78 METAP2 (0.49) ALDH1A1METAP2KDM4ELMNAGAA
SCHEMBL18415468 0.76 ALDH1A1 (0.87) ALDH1A1LMNAMEN1MAPTCRHBP
SCHEMBL108498 0.76 LCK (0.50) ALDH1A1METAP2KDM4ELMNAGAA
SCHEMBL7848892 0.75 POLB (0.60) ALDH1A1KDM4EGPR35LMNAMEN1
SCHEMBL13073787 0.75 METAP2 (0.53) ALDH1A1METAP2KDM4ELMNAGAA
SCHEMBL13911907 0.75 METAP2 (0.53) ALDH1A1METAP2KDM4ELMNAGAA

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
EP-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
US-6225329-B1 USEFUL IN THE TREATMENT OF TYPE I DIABETES, TYPE II DIABETES, IMPAIRED GLUCOSE TOLERANCE, INSULIN AUTOIMMUNITY DISEASES WITH DYSFUNCTIONS OF THE COAGULATION SYSTEM, ALLERGIC DISEASES NOVO NORDISK A/S (DK) 2001-05-01 US disclosed
EP-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed