SCHEMBL7720035

SCHEMBL7720035

CCCCCCCCC=CCCCCCCCC(=O)OCCC(C[N+](C)(C)C)OP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.55
SLC6A5 Q9Y345 1/20 0.55
LPAR1 Q92633 6/20 0.53
LPAR4 Q99677 2/20 0.53
LPAR5 Q9H1C0 2/20 0.53
LPAR2 Q9HBW0 2/20 0.53
LPAR3 Q9UBY5 2/20 0.53
CES2 O00748 1/20 0.53
LPAR6 P43657 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
P2RY10 O00398 4/20 0.51
GPR34 Q9UPC5 1/20 0.51
FABP3 P05413 1/20 0.48

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
SCHEMBL4064805 0.84 SMPD1 (0.50) ENPP2SLC6A5LPAR1LPAR4LPAR5
SCHEMBL3332099 0.84 SMPD1 (0.50) ENPP2SLC6A5LPAR1LPAR4LPAR5
SCHEMBL9130238 0.84 SMPD1 (0.50) ENPP2SLC6A5LPAR1LPAR4LPAR5
SCHEMBL5699819 0.83 FABP3 (0.41) SLC6A5FABP3
SCHEMBL23123577 0.83 PRKCE (0.60) ENPP2SLC6A5LPAR1LPAR4LPAR5
SCHEMBL1613621 0.83 PRKCE (0.60) ENPP2SLC6A5LPAR1LPAR4LPAR5
SCHEMBL7624924 0.81 ALDH1A1 (0.61) ENPP2LPAR1LPAR4LPAR5LPAR2
SCHEMBL30668211 0.81 ENPP2 (0.75) ENPP2LPAR1LPAR4LPAR5LPAR2
SCHEMBL6120421 0.80 SLC6A5 (0.51) ENPP2SLC6A5LPAR1LPAR4LPAR5
SCHEMBL24681827 0.79 FABP3 (0.76) ENPP2LPAR1P2RY10GPR34FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020142046-A1 Protein particles for therapeutic and diagnostic use YEN, RICHARD C.K. 2002-10-03 US disclosed
US-6391343-B1 PARTICLE COMPRISING FIBRINOGEN BOUND ON SURFACE OF ALBUMIN MATRIX, CAPABLE OF CO-AGGREGATION WITH PLATELETS, AND OF AGGREGATION IN SOLUTION CONTAINING SOLUBLE FIBRINOGEN AT CONCENTRATION NOT CAPABLE OF CLOT FORMATION BY ITSELF HEMOSPHERE, INC. 2002-05-21 US disclosed
US-5945033-A ALBUMIN, HEMOGLOBIN MIXTURE; STABILITY HEMOSPHERE, INC. (US) 1999-08-31 US disclosed
US-5725804-A ALBUMIN PARTICLES STABLE TO RESOLUBILIZATION, POLYOXYETHYLENE GLYCOL, ALCOHOL HEMOSPHERE, INC. (US) 1998-03-10 US disclosed
US-5616311-A AQUEOUS ALBUMIN SUSPENSION STABILIZED BY HEMOGLOBIN PARTICLES HEMOSPHERE, INC. (US) 1997-04-01 US disclosed