SCHEMBL7988968

SCHEMBL7988968

O=C(O)C(=O)Nc1cc(NCCN2CCOCC2)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
CNR1 P21554 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABHD6 Q9BV23 1/20 0.45
EPHX2 P34913 4/20 0.44
ATM Q13315 1/20 0.44
BCL3 P20749 2/20 0.43
TSHR P16473 1/20 0.43
SYK P43405 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7974691 0.77 BCL3 (0.47) LMNAEPHX2BCL3CYP2C19KDM4E
SCHEMBL20748361 0.77 GAA (0.54) LMNAABHD6EPHX2SYKKDM4E
SCHEMBL7985102 0.76 EPHX2 (0.44) EPHX2KMT2A
SCHEMBL4844468 0.75 EPHX2 (0.56) LMNACNR1SMN1; SMN2EPHX2ATM
SCHEMBL5744534 0.73 EPHX2 (0.61) LMNASMN1; SMN2EPHX2CYP2C19KDM4E
SCHEMBL7985665 0.73 PTPN1 (0.43) SMN1; SMN2KDM4EKMT2A
SCHEMBL7984956 0.72 KDM4C (0.49) SMN1; SMN2KDM4EKMT2A
SCHEMBL7988935 0.72 CASR (0.43) EPHX2TSHRKDM4EKMT2A
SCHEMBL8381483 0.71 TOP1 (0.51) LMNASMN1; SMN2KDM4EKMT2A
SCHEMBL7985611 0.70 PTPN1 (0.52) KDM4EKMT2A

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