SCHEMBL3722480

SCHEMBL3722480

CN[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.67
ITGB1 P05556 4/20 0.67

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
SCHEMBL3722481 1.00 ITGA4 (0.67) ITGA4ITGB1
SCHEMBL15105298 0.92 ITGA4 (0.58) ITGA4ITGB1
SCHEMBL6943255 0.84 ITGA4 (0.58) ITGA4ITGB1
SCHEMBL4417313 0.83 ITGA4 (0.62) ITGA4ITGB1
SCHEMBL838170 0.83 ITGA4 (0.62) ITGA4ITGB1
SCHEMBL1309887 0.83 ITGA4 (0.62) ITGA4ITGB1
SCHEMBL2035189 0.83 PPARG (0.67)
SCHEMBL8760872 0.83 PPARG (0.67)
SCHEMBL2030203 0.83 PPARG (0.67)
SCHEMBL6515404 0.82 ITGB1 (0.65) ITGA4ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
US-20090088454-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-04-02 US disclosed
US-7427496-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-23 US disclosed
US-20060183772-A1 To inhibit tumor growth in an animal; to induce apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 US disclosed
US-7071168-B2 Anti-cancer compounds and methods related thereto THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2006-07-04 US disclosed
US-6388054-B1 AMINO ACID SEQUENCES OF ANTITUMOR AGENTS AND APOPTOSIS AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-05-14 US disclosed
WO-2000011022-A1 ANTI-CANCER COMPOUNDS AND METHODS RELATED THERETO STEWART JOHN M (US) 2000-03-02 WO disclosed