SCHEMBL3418003

SCHEMBL3418003

CC(CCC(=O)O)(C(=O)O)P(=O)(O)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.32
METAP1 P53582 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM5A P29375 2/20 0.30
PHF8 Q9UPP1 2/20 0.30
KDM2A Q9Y2K7 2/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM4A O75164 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
SCHEMBL8460711 0.79 ALDH1A1 (0.31) NAALAD2ALDH1A1
SCHEMBL8458007 0.77 ALDH1A1 (0.35) NAALAD2ALDH1A1
SCHEMBL7111437 0.74 NAALAD2 (0.44) NAALAD2ALDH1A1LMNAMEN1CYP1A2
SCHEMBL3380551 0.73 ALDH1A1 (0.41) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL8585562 0.73 NAALAD2 (0.40) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL3382753 0.72 NAALAD2 (0.42) NAALAD2ALDH1A1LMNAMEN1CYP1A2
SCHEMBL8460189 0.71 ALDH1A1 (0.40) NAALAD2ALDH1A1LMNAMEN1CYP1A2
SCHEMBL3380370 0.70 ALDH1A1 (0.39) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL3382732 0.68 AKR1B1 (0.39) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL3952299 0.67 ALDH1A1 (0.40) ALDH1A1LMNA

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-5880112-A PHOSPHINIC ACID DERIVATIVES; PROSTATE CANCER TREATMENT GUILFORD PHARMACEUTICALS INC. (US) 1999-03-09 US claimed
EP-1443954-B1 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES SCRIPPS RESEARCH INST (US) 2010-11-24 EP disclosed
EP-1443954-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES Novartis Pharma GmbH (AT) 2004-08-11 EP disclosed
WO-2003035688-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES NOVARTIS PHARMA GMBH (AT) 2003-05-01 WO disclosed
US-5880112-A PHOSPHINIC ACID DERIVATIVES; PROSTATE CANCER TREATMENT GUILFORD PHARMACEUTICALS INC. (US) 1999-03-09 US disclosed
US-5804602-A N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed
US-5672592-A HYDROLASE INHIBITORS, ANTITUMOR AND ANTICARCINOGENIC AGENTS, FOR PROSTATE CANCER GUILFORD PHARMACEUTICALS INC. (US) 1997-09-30 US disclosed