SCHEMBL7663967

SCHEMBL7663967

CCOP(=O)(O)c1cc(-c2ccc(CSCc3ccc(C(F)(F)P(=O)(OCC)OCC)c(Br)c3)cc2)ccc1OC(C)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.47
▸ RXRA P19793 2/20 0.34
▸ RXRB P28702 2/20 0.34
▸ RXRG P48443 2/20 0.34
▸ PTPN2 P17706 1/20 0.32
▸ PTPN5 P54829 1/20 0.31

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
SCHEMBL7663960 0.90 PTPN1 (0.43) PTPN1RXRARXRBRXRG
SCHEMBL7593796 0.88 PTPN1 (0.44) PTPN1RXRARXRBRXRGPTPN5
SCHEMBL7592836 0.86 PTPN1 (0.48) PTPN1RXRARXRBRXRG
SCHEMBL7597536 0.84 PTPN1 (0.56) PTPN1RXRARXRBRXRGPTPN2
SCHEMBL7596789 0.80 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL7596371 0.79 PTPN1 (0.53) PTPN1RXRARXRBRXRGPTPN2
SCHEMBL7593786 0.79 PTPN1 (0.40) PTPN1RXRARXRBRXRG
SCHEMBL7592832 0.76 PTPN1 (0.44) PTPN1RXRARXRBRXRG
SCHEMBL7187448 0.76 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL7198638 0.75 ALDH1A1 (0.37) PTPN5

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-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 — — US disclosed
Send feedback