SCHEMBL8515969

SCHEMBL8515969

NC(=O)[C@H](CC(=O)O)NCCCCCP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
S1PR2 O95136 6/20 0.37
S1PR4 O95977 6/20 0.37
S1PR1 P21453 6/20 0.37
S1PR3 Q99500 6/20 0.37
S1PR5 Q9H228 1/20 0.37
LPAR3 Q9UBY5 3/20 0.35
LPAR2 Q9HBW0 1/20 0.35
BHMT Q93088 1/20 0.35
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
TYMS P04818 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
FOLH1 Q04609 1/20 0.33

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
SCHEMBL8728300 0.94 CA2 (0.40) CA2CA4S1PR2S1PR4S1PR1
SCHEMBL8729461 0.87 CA2 (0.42) CA2CA4LMNABLMALDH1A1
SCHEMBL8634866 0.80 GPR84 (0.38) TDP1
SCHEMBL2692733 0.79 GPR84 (0.44) ALDH1A1TDP1
SCHEMBL28308288 0.78 GPR84 (0.34) TDP1
SCHEMBL8424379 0.76 CAMK2A (0.33) LMNAALDH1A1
SCHEMBL7747031 0.76 CA2 (0.44) CA2CA4LMNABLMTDP1
SCHEMBL1880686 0.76 CAMK2A (0.33) LMNAALDH1A1
SCHEMBL6578196 0.73 TYMS (0.34) CA2CA4S1PR2S1PR4S1PR1
SCHEMBL4553554 0.72 GABRR1 (0.32) CA2CA4LMNAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929198-A HIGH MOLECULAR WEIGHT POLYMERS MODIFIED WITH N-DERIVATIZED COMPOUNDS NALCO CHEMICAL COMPANY (US) 1999-07-27 US claimed
EP-0832851-A1 Biodegradable poly (amino acids), derivatized amino acid polymers and methods for making the same Nalco Chemical Company (US) 1998-04-01 EP claimed