SCHEMBL3385292

SCHEMBL3385292

CC(CCC(=O)O)(C(=O)O)C(=O)N(O)c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
BCHE P06276 1/20 0.36
TSHR P16473 2/20 0.33
FFAR1 O14842 1/20 0.33
USP2 O75604 1/20 0.33
TBXAS1 P24557 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32
CHEK1 O14757 1/20 0.31
FYN P06241 1/20 0.31
PDGFRB P09619 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 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
SCHEMBL3380546 0.87 CYP2C19 (0.42) ALDH1A1CYP3A4ESR1ESR2TSHR
SCHEMBL3385323 0.71 NAALAD2 (0.41) ALDH1A1CYP3A4ESR1ESR2TSHR
SCHEMBL3385304 0.70 RIPK1 (0.57) KMT2AMEN1
SCHEMBL8458300 0.69 KDM4E (0.41) ALDH1A1CYP3A4ESR1ESR2BCHE
SCHEMBL3384342 0.68 ALDH1A1 (0.40) ALDH1A1CYP3A4ESR1ESR2TSHR
SCHEMBL28773067 0.66 ALDH1A1 (0.45) ALDH1A1CYP3A4ESR1ESR2BCHE
SCHEMBL10623363 0.65 BCHE (0.47) ALDH1A1CYP3A4BCHETSHRFFAR1
Adipic Acid SCHEMBL28218965 0.65 CHRM5 (0.59) ALDH1A1BCHETSHRTBXAS1CYP2C9
SCHEMBL8459394 0.65 FDPS (0.39) ALDH1A1CYP3A4ESR1ESR2BCHE
SCHEMBL8460769 0.65 MMP9 (0.39) ALDH1A1CYP3A4ESR1ESR2BCHE

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-5962521-A PROSTATE GLANDS DISORDERS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-05 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-5962521-A PROSTATE GLANDS DISORDERS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-05 US disclosed