SCHEMBL11060503

SCHEMBL11060503

CC[C]1CCCCN(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
PSMD14 O00487 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
IDE P14735 1/20 0.33
ALOX5 P09917 2/20 0.33
INMT O95050 2/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19345926 0.73 BRD4 (0.48) BRD4BRD2MEN1KMT2AMAPT
SCHEMBL16492022 0.70 BRD4 (0.44) BRD4BRD2MEN1KMT2AMAPT
Undecane SCHEMBL28268300 0.69 BRD4 (0.61) BRD4BRD2MEN1KMT2AMAPT
SCHEMBL14428797 0.69 BRD4 (0.52) BRD4BRD2MEN1KMT2AMAPT
SCHEMBL120927 0.67
SCHEMBL1626056 0.66 BRD4 (0.80) BRD4BRD2MEN1KMT2AMAPT
SCHEMBL54926 0.66
SCHEMBL6885804 0.66 BRD4 (0.80) BRD4BRD2MEN1KMT2AMAPT
SCHEMBL329328 0.66 BRD4 (0.80) BRD4BRD2MEN1KMT2AMAPT
SCHEMBL14747422 0.66 BRD4 (0.80) BRD4BRD2MEN1KMT2AMAPT

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-4463177-A Process for making m-hydroxyphenyl substituted compounds JOHN WYETH & BROTHER LIMITED (GB) 1984-07-31 US claimed