SCHEMBL9302775

SCHEMBL9302775

CC(=O)Oc1ccc(C([NH])=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.62
HSD17B10 Q99714 1/20 0.60
LMNA P02545 4/20 0.59
MAPT P10636 4/20 0.53
POLB P06746 2/20 0.53
PKM P14618 2/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ESR1 P03372 1/20 0.53
PGR P06401 1/20 0.53
CHRM2 P08172 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
AR P10275 1/20 0.53
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSP90AA1 P07900 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL9339013 0.84 ELANE (0.83) ELANEHSD17B10LMNAMAPTPOLB
SCHEMBL269329 0.83 LMNA (0.80) ELANEHSD17B10LMNAMAPTPOLB
SCHEMBL5831549 0.82 ELANE (0.67) ELANEHSD17B10LMNAMAPTPOLB
SCHEMBL5831547 0.82 ELANE (0.67) ELANEHSD17B10LMNAMAPTPOLB
SCHEMBL9762610 0.82 ELANE (0.67) ELANEHSD17B10LMNAMAPTPOLB
4-(Acetate)Acetophenone SCHEMBL1142839 0.82 MAPT (0.67) ELANEHSD17B10LMNAMAPTPOLB
Lithium SCHEMBL30522746 0.81 LMNA (0.76) ELANEHSD17B10LMNAMAPTPOLB
SCHEMBL14760365 0.81 LMNA (0.76) ELANEHSD17B10LMNAMAPTPOLB
SCHEMBL40184 0.80 HSD17B10 (0.88) ELANEHSD17B10LMNAMAPTPOLB
4-(Acetate)Acetophenone SCHEMBL28047084 0.80 ELANE (0.64) ELANEHSD17B10LMNAMAPTPOLB

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-5332811-A Antitumor intermediates THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1994-07-26 US disclosed