SCHEMBL6268151

SCHEMBL6268151

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(OC(C(=O)Nc3c(C)cccc3C(C)C)C3CCNCC3)c2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.41
PTPN1 P18031 16/20 0.40
PTPN2 P17706 4/20 0.38
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL6266291 0.95 PTPN1 (0.43) NLRP3PTPN1PTPN2
SCHEMBL6263193 0.92 PTPN1 (0.41) NLRP3PTPN1PTPN2
SCHEMBL6267947 0.90 PTPN1 (0.43) NLRP3PTPN1PTPN2
SCHEMBL3916381 0.90 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL3908638 0.88 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL3907066 0.87 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL6262985 0.86 PTPN1 (0.42) PTPN1PTPN2MAPK1
SCHEMBL3910263 0.85 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL6263295 0.85 PTPN1 (0.42) PTPN1PTPN2
SCHEMBL3909708 0.84 PTPN1 (0.41) PTPN1PTPN2

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
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed