SCHEMBL7988974

SCHEMBL7988974

O=C(O)C(=O)Nc1cc(N2CCCC(O)C2)ccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.41
IP6K1 Q92551 1/20 0.40
ABL1 P00519 1/20 0.39
PTPRC P08575 2/20 0.38
PTPN2 P17706 2/20 0.38
PTPRB P23467 2/20 0.38
PTPRE P23469 2/20 0.38
PTPN6 P29350 2/20 0.38
PTPRA P18433 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SERPINE1 P05121 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ACLY P53396 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
AR P10275 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
TSHR P16473 1/20 0.36

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
Hydrochloric Acid SCHEMBL1316354 0.77 ACLY (0.43) ACLYMALT1
SCHEMBL15398691 0.74 PTGER4 (0.53) MAPTGAASMN1; SMN2MALT1
SCHEMBL7988057 0.73 IRAK4 (0.39) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL1663436 0.73 USP2 (0.55) MAPTGAAHPGDSMN1; SMN2TSHR
SCHEMBL6287305 0.71 HDAC1 (0.47) IP6K1ABL1MAPTGAAHPGD
SCHEMBL7991868 0.68 PTPN1 (0.46) PTPN1IP6K1PTPRCPTPN2PTPRB
SCHEMBL6628944 0.67 ALDH1A1 (0.53) MAPTGAAHPGDSMN1; SMN2TSHR
SCHEMBL28780302 0.67 MAPT (0.47) MAPTGAAHPGDSMN1; SMN2RORC
SCHEMBL14892788 0.67 SMARCA2 (0.46) IP6K1ABL1MAPTGAAAR
SCHEMBL27784931 0.67 MAPT (0.47) MAPTGAAHPGDSMN1; SMN2RORC

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