SCHEMBL5841331

SCHEMBL5841331

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CC(C(=O)c1ccccc1)OC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB7A P51149 5/20 0.54
PTPN1 P18031 12/20 0.51
PTPN2 P17706 5/20 0.51
PTPRC P08575 3/20 0.51
PTPRB P23467 2/20 0.51
PTPRE P23469 2/20 0.51
RAB9A P51151 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PTPN6 P29350 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
ESR2 Q92731 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL5837176 0.86 PTPN1 (0.50) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL5838517 0.82 PTPN1 (0.48) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6206528 0.80 RAB7A (0.55) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6204620 0.79 PTPN1 (0.53) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL7676326 0.78 PTPN1 (0.49) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6226621 0.77 RAB7A (0.44) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6322130 0.76 RAB7A (0.47) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6315022 0.76 RAB7A (0.51) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6323701 0.76 RAB7A (0.46) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6207147 0.74 PTPN1 (0.51) RAB7APTPN1PTPN2PTPRCPTPRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed