SCHEMBL7984956

SCHEMBL7984956

O=C(O)C(=O)Nc1cc(NCC2CC2)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.49
LIPC P11150 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
PTPN1 P18031 5/20 0.44
PTPRC P08575 2/20 0.41
PTPN2 P17706 2/20 0.41
PTPRB P23467 2/20 0.41
PTPRE P23469 2/20 0.41
PTPN6 P29350 2/20 0.41
PTPRA P18433 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ASPH Q12797 2/20 0.40
KDM8 Q8N371 2/20 0.40
RIOX2 Q8IUF8 1/20 0.40
GRIK1 P39086 4/20 0.39
ALDH1A1 P00352 2/20 0.37
PTGER4 P35408 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CRHR1 P34998 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
SCHEMBL28404418 0.77 LIPC (0.47) KDM4CLIPCLIPGKDM4EASPH
SCHEMBL7991868 0.77 PTPN1 (0.46) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL7985611 0.77 PTPN1 (0.52) KDM4CPTPN1KDM4EASPHKDM8
SCHEMBL7985665 0.75 PTPN1 (0.43) KDM4CPTPN1PTPRCPTPN2PTPRB
SCHEMBL7985103 0.73 PTGS1 (0.45) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL28612582 0.72 CREBBP (0.71)
SCHEMBL7988968 0.72 LMNA (0.47) KDM4EKMT2ASMN1; SMN2
SCHEMBL194971 0.70 KDM4C (0.63) KDM4CLIPCLIPGKDM4EASPH
SCHEMBL17371276 0.70 KMT2A (0.49) KDM4CLIPCLIPGNPC1RAB9A
SCHEMBL7848210 0.70 GPR35 (0.58) PTPN1PTPRCPTPN2PTPRBPTPRE

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
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