SCHEMBL4979283

SCHEMBL4979283

C=CCCCCCCCCCP(=O)(O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.52
LPAR2 Q9HBW0 2/20 0.52
TSHR P16473 2/20 0.40
MAPT P10636 3/20 0.39
ABCC4 O15439 1/20 0.39
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
TRPM8 Q7Z2W7 4/20 0.35
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL13239571 0.78 LPAR3 (0.44) LPAR3LPAR2TSHRMAPTABCC4
SCHEMBL4950107 0.77 LPAR3 (0.55) LPAR3LPAR2TSHRMAPTABCC4
SCHEMBL7902422 0.77 LPAR3 (0.55) LPAR3LPAR2TSHRMAPTABCC4
SCHEMBL28333341 0.77 LPAR3 (0.55) LPAR3LPAR2TSHRMAPTABCC4
SCHEMBL23630464 0.77 LPAR3 (0.55) LPAR3LPAR2TSHRMAPTABCC4
SCHEMBL23630511 0.77 LPAR3 (0.55) LPAR3LPAR2TSHRMAPTABCC4
SCHEMBL19307697 0.77 LPAR3 (0.55) LPAR3LPAR2TSHRMAPTABCC4
SCHEMBL26828205 0.77 LPAR3 (0.55) LPAR3LPAR2TSHRMAPTABCC4
SCHEMBL2961046 0.77 LPAR3 (0.43) LPAR3LPAR2TSHRMAPTABCC4
SCHEMBL5955984 0.75 TRPM8 (0.61) LPAR3LPAR2TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348403-B2 Peptides and methods for deactivation of organophosphorus-based nerve agents and insecticides THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-03-25 US disclosed
US-20060216778-A1 Peptides and methods for deactivation of organophosphorus-based nerve agents and insecticides TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2006-09-28 US disclosed
WO-2004052918-A2 PEPTIDES AND METHODS FOR DEACTIVATION OF ORGANOPHOSPHORUS-BASED NERVE AGENTS AND INSECTICIDES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2004-06-24 WO disclosed