SCHEMBL11277514

SCHEMBL11277514

COc1cc2ccc(CC(=O)N3CCCC3)cc2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
GFER P55789 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
MAPT P10636 1/20 0.51
HPGD P15428 3/20 0.50
ECE2 P0DPD6 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ABCB1 P08183 1/20 0.49
ABCC1 P33527 1/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.48
PKM P14618 1/20 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
SCHEMBL11286791 0.99 HTT (0.59) HTTGFERSMN1; SMN2POLBALDH1A1
SCHEMBL11278425 0.99 HTT (0.59) HTTGFERSMN1; SMN2POLBALDH1A1
SCHEMBL11277440 0.88 HTT (0.79) HTTGFERSMN1; SMN2POLBALDH1A1
SCHEMBL11276769 0.87 SMN1; SMN2 (0.66) HTTGFERSMN1; SMN2POLBMAPT
SCHEMBL11279909 0.86 HTT (0.57) HTTSMN1; SMN2POLBALDH1A1MEN1
SCHEMBL17572088 0.82 HTT (0.61) HTTGFERSMN1; SMN2POLBALDH1A1
SCHEMBL11265370 0.81 HPGD (0.59) SMN1; SMN2ALDH1A1KMT2AMAPTHPGD
SCHEMBL11304999 0.81 HTT (0.60) HTTGFERSMN1; SMN2POLBALDH1A1
SCHEMBL19423882 0.81 HTT (0.60) HTTGFERSMN1; SMN2POLBALDH1A1
SCHEMBL17572090 0.79 HTT (0.61) HTTGFERSMN1; SMN2POLBALDH1A1

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