SCHEMBL23965716

SCHEMBL23965716

CCC/C=C(\C(=O)NC)c1ccccc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.36
HTT P42858 3/20 0.33
TSHR P16473 2/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
PLK1 P53350 1/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CLCN2 P51788 1/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL23965654 0.84 GAA (0.40) GAALMNAL3MBTL1HPGDTP53
SCHEMBL23977989 0.80 KDM4E (0.34) GAAHPGDKDM4ECYP3A4ALDH1A1
SCHEMBL23969498 0.77 CYP3A4 (0.38) GAALMNATP53NPC1RAB9A
SCHEMBL23969523 0.74 HPGD (0.37) GAALMNAL3MBTL1HPGDNPC1
SCHEMBL6868432 0.71 HPGD (0.66) GAALMNAL3MBTL1HPGDTP53
SCHEMBL2154731 0.70 HPGD (0.44) GAALMNAL3MBTL1HPGDTP53
SCHEMBL2154734 0.70 HPGD (0.44) GAALMNAL3MBTL1HPGDTP53
SCHEMBL8109438 0.70 HPGD (0.44) GAALMNAL3MBTL1HPGDTP53
SCHEMBL8179369 0.68 HPGD (0.49) GAALMNAL3MBTL1HPGDTP53
SCHEMBL9021885 0.68 HDAC3 (0.40) LMNAHPGDKDM4EHTTTSHR

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-3903583-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS III BASF SE (DE) 2021-11-03 EP disclosed