SCHEMBL7688988

SCHEMBL7688988

O=C1CCc2c(sc(NC3CCCCO3)c2C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.55
PTPRA P18433 1/20 0.55
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 1/20 0.38
KMT2A Q03164 5/20 0.37
NOD1 Q9Y239 1/20 0.37
POLB P06746 3/20 0.36
CASP6 P55212 1/20 0.36
MEN1 O00255 3/20 0.35
HPGD P15428 4/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 1/20 0.34
ESR2 Q92731 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7693899 0.85 PTPN1 (0.53) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL7854135 0.82 PTPN1 (0.58) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4449756 0.81 PTPN1 (0.55) PTPN1PTPRAPTPRCPTPN2PTPRB
SCHEMBL6399832 0.79 PTPN1 (0.39) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL27558196 0.79 PTPN1 (0.43) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL6402782 0.79 PTPN1 (0.57) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL7855098 0.78 PTPN2 (0.58) PTPN1PTPN2KMT2ANOD1POLB
SCHEMBL7562771 0.77 PTPN1 (0.35) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL7855558 0.77 KMT2A (0.53) PTPN1PTPN2KMT2ANOD1POLB
SCHEMBL7167862 0.73 NPSR1 (0.52) KMT2APOLBMEN1HPGDLMNA

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-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed