SCHEMBL11277005

SCHEMBL11277005

COc1ccc(C(=O)CN2CCCC2)c2c(OC)cccc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 3/20 0.47
USP14 P54578 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
HPGDS O60760 1/20 0.45
MEN1 O00255 1/20 0.44
RAD52 P43351 1/20 0.43
GFER P55789 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
Hydrochloric Acid SCHEMBL11284814 0.99 ALDH1A1 (0.47) ALDH1A1MAPTUSP14GAAKMT2A
SCHEMBL11283956 0.77 MAPT (0.54) ALDH1A1MAPTGAAKMT2AKDM4E
SCHEMBL11277750 0.77 MAPT (0.54) ALDH1A1MAPTGAAKMT2AKDM4E
SCHEMBL11272460 0.75 ALDH1A1 (0.55) ALDH1A1MAPTGAAKMT2AKDM4E
SCHEMBL10749731 0.73 LMNA (0.62) ALDH1A1GAATSHRSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL11268933 0.73 HRH3 (0.62) ALDH1A1KMT2AMEN1HRH3
SCHEMBL11275594 0.73 HPGDS (0.50) ALDH1A1MAPTGAAKMT2AKDM4E
Hydrochloric Acid SCHEMBL11279012 0.72 HPGDS (0.49) ALDH1A1MAPTGAAKMT2AKDM4E
SCHEMBL11268789 0.72 MAPT (0.48) ALDH1A1MAPTGAAKMT2AKDM4E
Hydrochloric Acid SCHEMBL11273763 0.72 L3MBTL1 (0.46) ALDH1A1MAPTKMT2AKDM4ETSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4169108-A 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols STERLING DRUG INC. (US) 1979-09-25 US disclosed