SCHEMBL3382383

SCHEMBL3382383

O=C(O)CCC(Cc1ccccc1)(O[PH](=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 1/20 0.40
KEAP1 Q14145 1/20 0.40
CYP2C19 P33261 1/20 0.38
FFAR1 O14842 7/20 0.38
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ARG1 P05089 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
SCHEMBL8736688 0.87 ALDH1A1 (0.36) CYP2C19FFAR1
SCHEMBL8736671 0.85 HDAC3 (0.49) SMN1; SMN2KEAP1FFAR1HDAC3MAPK1
SCHEMBL8735900 0.81 SMN1; SMN2 (0.40) SMN1; SMN2CYP2C19
SCHEMBL28289195 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HIF1AKEAP1CYP2C19FFAR1
SCHEMBL3415969 0.76 MEN1 (0.44) HDAC3HDAC1HDAC2HDAC8AKR1B1
SCHEMBL1687805 0.76 ALDH1A1 (0.36) HIF1ACYP2C19
SCHEMBL3383321 0.73 ALDH1A1 (0.42) FFAR1HDAC3HDAC1HDAC2HDAC11
SCHEMBL3384260 0.73 CYP2C19 (0.35) SMN1; SMN2HIF1AKEAP1CYP2C19FFAR1
SCHEMBL7271492 0.72 SMN1; SMN2 (0.42) SMN1; SMN2HIF1ACYP2C19ARG1ARG2
SCHEMBL3382432 0.72 SMN1; SMN2 (0.41) SMN1; SMN2HIF1AKEAP1CYP2C19FFAR1

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