SCHEMBL9057785

SCHEMBL9057785

COc1ccc(C(=O)Cc2ccccc2OC)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.72
TDP1 Q9NUW8 1/20 0.63
NPC1 O15118 6/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 1/20 0.55
KCNH2 Q12809 1/20 0.55
TTR P02766 1/20 0.54
GSK3B P49841 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53

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
SCHEMBL31040323 1.00 L3MBTL1 (0.72) L3MBTL1TDP1NPC1LMNAHTT
SCHEMBL597834 0.88 L3MBTL1 (0.69) L3MBTL1NPC1LMNAHTTKMT2A
SCHEMBL5725941 0.87 L3MBTL1 (0.68) L3MBTL1TDP1NPC1LMNAHTT
SCHEMBL8853339 0.86 NPC1 (0.65) L3MBTL1TDP1NPC1HTTKMT2A
SCHEMBL24603113 0.84 L3MBTL1 (0.65) L3MBTL1TDP1NPC1LMNAHTT
SCHEMBL8636638 0.84 NPC1 (0.61) L3MBTL1NPC1LMNAHTTKMT2A
SCHEMBL3922719 0.84 HSD17B10 (0.69) L3MBTL1NPC1LMNAHTTKMT2A
SCHEMBL24603004 0.83 L3MBTL1 (0.60) L3MBTL1TDP1NPC1LMNAHTT
SCHEMBL29270111 0.83 KMT2A (0.61) L3MBTL1NPC1LMNAHTTKMT2A
SCHEMBL27917764 0.83 KMT2A (0.56) L3MBTL1NPC1KMT2ARAB9ASMN1; SMN2

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
WO-1996012489-A1 BICYCLIC NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-05-02 WO disclosed