SCHEMBL14587459

SCHEMBL14587459

C#CCCOC(=O)/C=C/C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.43
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HCAR2 Q8TDS4 6/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ZDHHC20 Q5W0Z9 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
SCHEMBL5590749 0.90 ALOX5 (0.48) ALOX5ATMMAPTRAB9ANPSR1
SCHEMBL5590750 0.90 ALOX5 (0.48) ALOX5ATMMAPTRAB9ANPSR1
SCHEMBL14587460 0.89 ATM (0.46) ALOX5ATMMAPTRAB9ANPSR1
SCHEMBL8470293 0.82 HCAR2 (0.57) ALOX5ATMHCAR2MEN1KMT2A
SCHEMBL14587452 0.82 TSHR (0.47) ALOX5ATMMAPTRAB9ANPSR1
SCHEMBL8470292 0.82 HCAR2 (0.57) ALOX5ATMHCAR2MEN1KMT2A
SCHEMBL27876632 0.81 ATM (0.50) ALOX5ATMMAPTRAB9ANPSR1
SCHEMBL14619697 0.81 ALOX5 (0.49) ALOX5ATMMAPTRAB9ANPSR1
SCHEMBL14587457 0.81 HCAR2 (0.50) ALOX5ATMMAPTRAB9ANPSR1
SCHEMBL8172894 0.78 MAPT (0.50) ALOX5ATMMAPTRAB9ANPSR1

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-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed
US-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed