SCHEMBL3415969

SCHEMBL3415969

CCC(CCC(=O)O)(O[PH](=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.35
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
AKR1B1 P15121 1/20 0.30

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
SCHEMBL3383321 0.89 ALDH1A1 (0.42) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL3380434 0.86 ALDH1A1 (0.40) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL1687805 0.85 ALDH1A1 (0.36) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL8560318 0.84 MEN1 (0.30) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL8736671 0.76 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8
SCHEMBL3382383 0.76 SMN1; SMN2 (0.40) HDAC3HDAC1HDAC2HDAC8AKR1B1
SCHEMBL3384325 0.76 ALDH1A1 (0.41) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL8007315 0.74 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4104284 0.71
SCHEMBL8560315 0.71 MEN1 (0.30) MEN1ALDH1A1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5795877-A Inhibitors of NAALADase enzyme activity GUILFORD PHARMACEUTICALS INC. (US) 1998-08-18 US claimed
EP-1443954-B1 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES SCRIPPS RESEARCH INST (US) 2010-11-24 EP disclosed
US-7399743-B2 Targeted thrombosis THE SCRIPPS RESEARCH INSTITUTE (US) 2008-07-15 US disclosed
EP-1443954-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES Novartis Pharma GmbH (AT) 2004-08-11 EP disclosed
US-20030194400-A1 Targeted thrombosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-16 US disclosed
WO-2003035688-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES NOVARTIS PHARMA GMBH (AT) 2003-05-01 WO disclosed
US-5795877-A Inhibitors of NAALADase enzyme activity GUILFORD PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed