SCHEMBL7986802

SCHEMBL7986802

CC1(C)CC(Nc2cccc(NC(=O)C(=O)O)c2C(=O)O)CC(C)(C)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
RAD52 P43351 1/20 0.43
GFER P55789 1/20 0.43
POLB P06746 1/20 0.42
EZH2 Q15910 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GPR35 Q9HC97 1/20 0.40
TSHR P16473 1/20 0.39
PTPRC P08575 1/20 0.39

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
SCHEMBL7988047 0.79 GPR35 (0.46) KMT2AMEN1MAPTPKMGAA
SCHEMBL11835239 0.76 GPR35 (0.64) GPR35PTPRCPTPN2PTPN1PTPRB
SCHEMBL7985843 0.76 ALOX15 (0.47) METAP2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL17596458 0.69 KMT2A (0.50) METAP2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL15008597 0.69 EZH2 (0.52) METAP2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL7988976 0.69 GPR35 (0.42) ALDH1A1GFERGAAHTTGPR35
SCHEMBL7974559 0.69 KDM4E (0.57) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL7988900 0.67 GPR35 (0.56) KMT2AMEN1PKMKDM4EGPR35
SCHEMBL15286979 0.67 KDM4C (0.52) ALDH1A1LMNAGAAKDM4E
SCHEMBL9154782 0.66 GAA (0.52) KMT2AL3MBTL1ALDH1A1POLBEZH2

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