SCHEMBL5837576

SCHEMBL5837576

COc1ccc2[nH]c(C)c(C(=O)NCC3Cc4c(sc(N)c4C(=O)OC(C)(C)C)CO3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 6/20 0.39
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
CISD2 Q8N5K1 1/20 0.35
HTR4 Q13639 1/20 0.35

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
SCHEMBL5838017 0.87 KDM4E (0.41) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL5838238 0.81 PTPN1 (0.40) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL6318332 0.75 ALDH1A1 (0.46) KDM4ENPC1KMT2AALDH1A1HPGD
SCHEMBL5838574 0.72 ALDH1A1 (0.41) KDM4ENPC1RAB9AALDH1A1CASP1
SCHEMBL5837427 0.72 FABP4 (0.35) KMT2AALDH1A1LMNAGAACISD2
SCHEMBL5837586 0.71 ADORA1 (0.41) KDM4EKMT2AALDH1A1HPGDHSD17B10
SCHEMBL5838030 0.71 ADORA1 (0.41) KDM4EKMT2AALDH1A1HPGDHSD17B10
SCHEMBL5838311 0.71 AKR1C2 (0.39) KDM4EALDH1A1MTNR1AMTNR1BGAA
SCHEMBL5838333 0.70 ALDH1A1 (0.42) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL6316717 0.67 GRM6 (0.43) KDM4ENPC1KMT2AALDH1A1HPGD

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
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed
EP-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed