SCHEMBL3382537

SCHEMBL3382537

CCCP(=O)(O)OC(=O)CC[C@H](N)C(=O)OP(=O)(O)CCC

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY10 O00398 7/20 0.33
GPR34 Q9UPC5 4/20 0.33
GPR174 Q9BXC1 3/20 0.33
GCLC P48506 1/20 0.33
METAP1 P53582 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR2 O95136 3/20 0.32
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 3/20 0.32
S1PR4 O95977 2/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
GRM7 Q14831 1/20 0.32
GRM4 Q14833 1/20 0.32

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
SCHEMBL3383402 0.92 LAP3 (0.38) P2RY10GPR34GPR174S1PR2S1PR1
SCHEMBL15757364 0.88 GCLC (0.45) GCLCGRM8GRM6GRM7GRM4
SCHEMBL3384123 0.87 CYP2D6 (0.33) P2RY10GPR34GPR174GCLCMETAP1
SCHEMBL3382375 0.77 SLC1A1 (0.33) P2RY10GPR34GPR174CYP2D6CYP2C9
SCHEMBL4751449 0.76 CA4 (0.37) CYP2D6CYP2C9CYP2C19GRM8GRM6
SCHEMBL3659563 0.76 CA4 (0.37) CYP2D6CYP2C9CYP2C19GRM8GRM6
SCHEMBL3380549 0.76 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR4
SCHEMBL10671206 0.75 CA4 (0.35) GRM8GRM6GRM7GRM4
SCHEMBL28235347 0.75 CA4 (0.35) GRM8GRM6GRM7GRM4
Ammonia Solution, Strong SCHEMBL28656082 0.75 CA4 (0.35) GRM8GRM6GRM7GRM4

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
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