SCHEMBL6948156

SCHEMBL6948156

COC(=O)c1ccc(CC(Cc2ccc(C(F)(F)P(=O)(OC(C)(C)C)OC(C)(C)C)cc2)(C(=O)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.60
PTPRC P08575 3/20 0.48
PTPN2 P17706 3/20 0.44
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL7886821 0.93 PTPN1 (0.70) PTPN1PTPRCPTPN2
SCHEMBL7164018 0.91 PTPN1 (0.49) PTPN1PTPRCPTPN2RAB9AMAPT
SCHEMBL6948682 0.88 PTPN1 (0.63) PTPN1PTPRCPTPN2
SCHEMBL7159975 0.87 PTPN1 (0.80) PTPN1PTPRCPTPN2
SCHEMBL7169222 0.84 PTPN1 (0.60) PTPN1PTPRCPTPN2RAB9AMAPT
SCHEMBL7165643 0.84 PTPN1 (0.60) PTPN1PTPRCPTPN2RAB9AMAPT
SCHEMBL7165440 0.82 PTPN1 (0.56) PTPN1PTPRCPTPN2MAPTMEN1
SCHEMBL7164802 0.82 PTPN1 (0.41) PTPN1PTPRCPTPN2RAB9ACA1
SCHEMBL7163909 0.81 PTPN1 (0.75) PTPN1PTPRCPTPN2
SCHEMBL7166675 0.81 PTPN1 (0.53) PTPN1PTPRCPTPN2RAB9ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115729-B1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA INC (CA) 2003-02-19 EP disclosed
US-6174874-B1 ANTIDIABETIC,-CARCINOGENIC AGENTS; IMPROVING GLUCOSE TOLERANCE/INSULIN-SENSITIVITY; PREVENTING/TREATING OBESITY AND NEURODEGENERATIVE DISEASES; E.G. 1,3-BIS-((PHOSPHONODI-FLUOROMETHYL)PHENYL)-2-DICARBOXYPROPANE MERCK FROSST CANADA & CO. (CA) 2001-01-16 US disclosed