SCHEMBL3380600

SCHEMBL3380600

N[C@@H](CCC(=O)OP(=O)(O)c1ccccc1)C(=O)OP(=O)(O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
ANPEP P15144 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 1/20 0.39
LTA4H P09960 4/20 0.38
GGH Q92820 1/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CFTR P13569 1/20 0.35

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
SCHEMBL15757967 0.90 POLB (0.50) POLBKMT2ATDP1ANPEPERAP1
SCHEMBL3380506 0.78 ANPEP (0.40) TDP1ANPEPERAP1ERAP2LTA4H
SCHEMBL29148867 0.76 FOLH1 (0.45) ALDH1A1TSHRGGH
SCHEMBL28111320 0.75 POLB (0.42) POLBTDP1ALDH1A1TSHRANPEP
SCHEMBL3380549 0.75 S1PR2 (0.46) TDP1TSHRANPEPERAP1ERAP2
SCHEMBL8732951 0.74 NPSR1 (0.50) POLBKMT2AALDH1A1TSHRLTA4H
SCHEMBL3659563 0.73 CA4 (0.37) KMT2A
SCHEMBL4751449 0.73 CA4 (0.37) KMT2A
SCHEMBL8458374 0.72 POLB (0.53) POLBKMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL4422382 0.72 POLB (0.47) POLBKMT2AALDH1A1TSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3193914-A1 ORGAN PROTECTION IN PSMA-TARGETED RADIONUCLIDE THERAPY OF PROSTATE CANCER Molecular Insight Pharmaceuticals, Inc. (US) 2017-07-26 EP claimed
WO-2016040179-A1 ORGAN PROTECTION IN PSMA-TARGETED RADIONUCLIDE THERAPY OF PROSTATE CANCER MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-03-17 WO claimed
EP-3193914-A1 ORGAN PROTECTION IN PSMA-TARGETED RADIONUCLIDE THERAPY OF PROSTATE CANCER Molecular Insight Pharmaceuticals, Inc. (US) 2017-07-26 EP disclosed
WO-2016040179-A1 ORGAN PROTECTION IN PSMA-TARGETED RADIONUCLIDE THERAPY OF PROSTATE CANCER MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-03-17 WO disclosed
WO-2014085575-A1 METHODS FOR TREATING CANCER USING COMBINATION THERAPIES ENDOCYTE, INC. (US) 2014-06-05 WO disclosed
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