SCHEMBL7520907

SCHEMBL7520907

C#CCC(O)C=Cc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
ALOX5 P09917 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
KDM1A O60341 1/20 0.34
NPC1 O15118 4/20 0.33
MAPT P10636 4/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL7051227 1.00 JUN (0.39) JUNNFKB1ALOX5HDAC1HDAC6
SCHEMBL15195462 0.82 CYP1A2 (0.41) HDAC1HDAC6MAPTSMN1; SMN2CYP1A2
SCHEMBL7521388 0.82 CYP1A2 (0.41) HDAC1HDAC6MAPTSMN1; SMN2CYP1A2
SCHEMBL7521391 0.82 CYP1A2 (0.41) HDAC1HDAC6MAPTSMN1; SMN2CYP1A2
SCHEMBL7052809 0.81 CYP11B1 (0.46) JUNNFKB1ALOX5NPC1MAPT
SCHEMBL7523335 0.81 CYP11B1 (0.46) JUNNFKB1ALOX5NPC1MAPT
SCHEMBL7054847 0.73 JUN (0.38) JUNNFKB1ALOX5HDAC1HDAC6
SCHEMBL7522228 0.73 JUN (0.38) JUNNFKB1ALOX5HDAC1HDAC6
SCHEMBL7515532 0.68 HDAC8 (0.38) NFKB1CYP1A2ALOX15KDM4ECYP3A4
SCHEMBL23639908 0.67 NPC1 (0.41) JUNNFKB1ALOX5NPC1MAPT

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
US-20020137152-A1 Fermentation process for epothilones KOSAN BIOSCIENCES, INC. 2002-09-26 US disclosed