SCHEMBL9716097

SCHEMBL9716097

COC(=O)OCCN(C)c1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.48
MTNR1B P49286 14/20 0.48
HSD17B1 P14061 3/20 0.40
HSD17B2 P37059 3/20 0.40
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR7 P34969 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GPX4 P36969 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL10992392 0.87 MTNR1A (0.43) MTNR1AMTNR1BHSD17B1HSD17B2MEN1
SCHEMBL8767879 0.85 RAD52 (0.46) MTNR1AMTNR1BHSD17B1HSD17B2HTR7
SCHEMBL11670936 0.84 MTNR1A (0.47) MTNR1AMTNR1BHSD17B1HSD17B2HTR7
SCHEMBL11519483 0.83 GFER (0.49) MEN1KMT2AALDH1A1TP53
SCHEMBL28648224 0.83 MTNR1A (0.43) MTNR1AMTNR1BHSD17B1HSD17B2HTR7
SCHEMBL13164572 0.80 HTR7 (0.45) MTNR1AMTNR1BHSD17B1HSD17B2HTR7
SCHEMBL11671824 0.79 LMNA (0.47) MTNR1AMTNR1BHSD17B1HSD17B2MEN1
SCHEMBL9648292 0.76 MTNR1A (0.48) MTNR1AMTNR1BHSD17B1HSD17B2HTR7
SCHEMBL22400033 0.76 HSD17B1 (0.43) MTNR1AMTNR1BHSD17B1HSD17B2MEN1
SCHEMBL11138993 0.76 HTR7 (0.51) HSD17B1HSD17B2MEN1KMT2AHTR7

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-5101021-A Disperse dyes for polyesters SANDOZ LTD. (CH) 1992-03-31 US disclosed