SCHEMBL3380552

SCHEMBL3380552

O=C(O)CC[C@@H](C(=O)O)N(CCCc1ccccc1)[PH](=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALOX5 P09917 2/20 0.44
KDM4A O75164 1/20 0.44
KDM5A P29375 1/20 0.44

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
SCHEMBL3380508 0.85 CPA3 (0.46) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7645575 0.83 CYP1A2 (0.55) HDAC1HDAC3HDAC2HDAC8FFAR1
SCHEMBL3383403 0.77 AKR1B1 (0.38) HDAC11MAPTKDM5AKDM4CFFAR1
SCHEMBL3380603 0.76 CPA3 (0.41) MAPK1KEAP1CPA3FOLH1
SCHEMBL3382538 0.75 CYP1A2 (0.37) HDAC1HDAC3HDAC2HDAC8MAPT
SCHEMBL7647484 0.73 KMT2A (0.38) MAPK1CPA3FFAR1FOLH1
SCHEMBL7654496 0.72 EPOR (0.46) MAPTFFAR1
SCHEMBL3384127 0.71 CYP1A2 (0.39) HDAC1HDAC3HDAC2HDAC8KDM4A
SCHEMBL29728626 0.70 MAPT (0.50) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL536547 0.70 CPA3 (0.53) HDAC1HDAC3HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5863536-A N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME INHIBITOR FOR THE TREATMENT OF GLUTAMATE ABNORMALITIES AND ASSOCIATED NERVOUS TISSUE ISCHEMIA IN A ANIMAL AND FOR TREATMENT OF PROSTATE DISEASE GUILFORD PHARMACEUTICALS INC. (US) 1999-01-26 US disclosed