SCHEMBL11399366

SCHEMBL11399366

CCCCCCCCCCCc1ccn(C(=O)NCCO)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CNR1 P21554 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NAMPT P43490 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
ASAH1 Q13510 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11405588 1.00 ALOX15 (0.43) ALOX15CYP4F2CYP4A11CNR1ALDH1A1
SCHEMBL11399918 1.00 ALOX15 (0.43) ALOX15CYP4F2CYP4A11CNR1ALDH1A1
SCHEMBL11410843 0.84 MEN1 (0.40) ALOX15ALDH1A1HPGDMEN1MAPT
SCHEMBL11405975 0.80 CYP4F2 (0.46) ALOX15CYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL162022 0.72 ALOX15 (0.47) ALOX15CNR1NAMPTASAH1MEN1
SCHEMBL17261545 0.69 NAMPT (0.40) CNR1NAMPTMEN1KMT2ATDP1
SCHEMBL161101 0.68 ALOX15 (0.41) ALOX15ALDH1A1MEN1KMT2A
SCHEMBL19578802 0.67 KCNH2 (0.50) CNR1MAPT
SCHEMBL28221869 0.67 KCNH2 (0.50) CNR1MAPT
SCHEMBL8664135 0.66 KCNH2 (0.48) CNR1

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-0029363-A1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them MORISHITA PHARMACEUTICAL CO. LTD. (JP) 1981-05-27 EP disclosed