SCHEMBL8143156

SCHEMBL8143156

COC(=O)c1cccc(Oc2ccc(NC(=O)C3CC3)cc2)c1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.75
MTNR1B P49286 5/20 0.75
HSD17B10 Q99714 2/20 0.57
NPC1 O15118 2/20 0.54
TP53 P04637 2/20 0.54
PKM P14618 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
RECQL P46063 1/20 0.53
MGLL Q99685 1/20 0.53
PGR P06401 1/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.51
AR P10275 1/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL8143122 0.86 MTNR1B (1.00) MTNR1AMTNR1BHSD17B10NPC1TP53
SCHEMBL28212694 0.81 MTNR1A (0.72) MTNR1AMTNR1BNPC1TP53PKM
SCHEMBL883130 0.79 TNKS (0.60) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL2436534 0.79 L3MBTL1 (0.65) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL2189841 0.78 NPC1 (0.47) MTNR1AMTNR1BHSD17B10NPC1TP53
SCHEMBL521860 0.78 AKR1C3 (0.68) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL8144897 0.78 MTNR1B (0.75) MTNR1AMTNR1BNPC1TP53PKM
SCHEMBL13192697 0.77 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL14217726 0.77 L3MBTL1 (0.56) NPC1TP53RAB9ASMN1; SMN2PGR
SCHEMBL16670220 0.76 ALDH1A1 (0.77) HSD17B10RAB9ASMN1; SMN2ALDH1A1HPGD

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-6090854-A Aryloxyanilides and related compounds BRISTOL-MEYERS COMPANY (US) 2000-07-18 US disclosed