SCHEMBL3380434

SCHEMBL3380434

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
THRB P10828 1/20 0.40
AKR1B1 P15121 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
PTPN1 P18031 3/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 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
SCHEMBL3383321 0.90 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL3415969 0.86 MEN1 (0.44) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL1687805 0.80 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL8736671 0.77 HDAC3 (0.49) HDAC11TSHRTDP1FFAR1FFAR4
SCHEMBL9323912 0.75 AKR1B1 (0.39) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL8560318 0.74 MEN1 (0.30) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL29726336 0.74 AKR1B1 (0.38) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL3384325 0.70 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL13292154 0.70 TDP1 (0.35) ALDH1A1KMT2AMEN1AKR1B1GPR84
SCHEMBL1487153 0.70 PAM (0.33) ALDH1A1KMT2AMEN1AKR1B1GPR84

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