SCHEMBL23717017

SCHEMBL23717017

C=C(C)C(=O)Oc1ccc(-c2ccc(N(c3ccc(-c4ccc(OC(=O)C(=C)C)cc4)cc3)c3ccc(C)c(C)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GFER P55789 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 3/20 0.33
NPC1 O15118 2/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
EGFR P00533 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SIRT5 Q9NXA8 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
SCHEMBL23921511 1.00 ELANE (0.43) ELANEKMT2AATMHSD17B1HSD17B2
SCHEMBL12234110 0.96 ELANE (0.47) ELANEKMT2AATMSMN1; SMN2TDP1
SCHEMBL4402959 0.96 ELANE (0.47) ELANEKMT2AATMSMN1; SMN2TDP1
SCHEMBL14195394 0.92 ELANE (0.36) ELANEKMT2AATMHSD17B1HSD17B2
SCHEMBL2623396 0.89 ELANE (0.53) ELANEKMT2AATMHSD17B10SMN1; SMN2
SCHEMBL12234089 0.88 THRB (0.42) ELANEKMT2AATMSMN1; SMN2TDP1
SCHEMBL11987023 0.87 ELANE (0.40) ELANEKMT2AATMSMN1; SMN2TDP1
SCHEMBL11987034 0.86 ELANE (0.48) ELANEKMT2AATMHSD17B10SMN1; SMN2
SCHEMBL9915701 0.86 ELANE (0.48) ELANEKMT2AATMHSD17B10SMN1; SMN2
SCHEMBL13051075 0.86 ELANE (0.48) ELANEKMT2AATMHSD17B10SMN1; SMN2

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-20210240093-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2021-08-05 US disclosed