SCHEMBL9542322

SCHEMBL9542322

COc1ccc(CCCCCC(=O)ON)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
F2RL1 P55085 1/20 0.53
CALM1 P0DP23 1/20 0.51
LTB4R Q15722 1/20 0.51
POLB P06746 1/20 0.50
IGF1R P08069 1/20 0.50
ALOX15 P16050 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL9859937 0.87 ALOX5 (0.58) ALOX5F2RL1CALM1LTB4RPOLB
SCHEMBL933946 0.85 ALOX5 (0.59) ALOX5F2RL1CALM1LTB4RPOLB
SCHEMBL13522667 0.85 ALOX5 (0.59) ALOX5F2RL1CALM1LTB4RPOLB
SCHEMBL1237172 0.85 F2RL1 (0.62) ALOX5F2RL1CALM1LTB4RPOLB
SCHEMBL20019549 0.83 ALOX5 (0.61) ALOX5F2RL1CALM1POLBIGF1R
SCHEMBL3675681 0.83 ALOX5 (0.57) ALOX5F2RL1CALM1KMT2AL3MBTL1
SCHEMBL9484086 0.82 LTB4R (0.69) ALOX5F2RL1CALM1LTB4R
SCHEMBL9235000 0.82 ALOX5 (0.59) ALOX5F2RL1CALM1LTB4RPOLB
SCHEMBL11637942 0.82 ALOX5 (0.59) ALOX5F2RL1CALM1LTB4RPOLB
SCHEMBL8001859 0.82 LTB4R (0.69) ALOX5F2RL1CALM1LTB4R

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
WO-1993000359-A1 MODIFIED PEPTIDES TRANSPORTABLE INTO THE CENTRAL NERVOUS SYSTEM THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-01-07 WO disclosed