SCHEMBL6832393

SCHEMBL6832393

CCC(OP(=O)(O)O)C(N)CCc1ccc(C(=O)CCCCCc2ccccc2)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
CES1 P23141 5/20 0.39
FAAH O00519 2/20 0.39
LPAR1 Q92633 6/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PRNP P04156 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL6832421 0.99 POLB (0.41) POLBTDP1S1PR2S1PR4S1PR1
SCHEMBL6827718 0.96 TDP1 (0.37) POLBTDP1S1PR2S1PR4S1PR1
SCHEMBL5168860 0.78 POLB (0.45) POLBTDP1CES1FAAHALDH1A1
SCHEMBL6832390 0.77 LPAR1 (0.48) POLBTDP1S1PR2S1PR4S1PR1
Oxalic Acid SCHEMBL5167291 0.76 POLB (0.44) POLBTDP1CES1FAAHALDH1A1
SCHEMBL386996 0.76 S1PR1 (0.51) POLBTDP1S1PR2S1PR4S1PR1
SCHEMBL6832415 0.76 LPAR1 (0.46) POLBTDP1S1PR2S1PR4S1PR1
SCHEMBL5167288 0.75 POLB (0.43) POLBTDP1CES1FAAHALDH1A1
SCHEMBL387439 0.74 S1PR1 (0.49) POLBTDP1S1PR2S1PR4S1PR1
SCHEMBL383897 0.74 S1PR1 (0.49) POLBTDP1S1PR2S1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 EP disclosed