SCHEMBL28531795

SCHEMBL28531795

COc1ccc(Br)cc1C(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 2/20 0.55
▸ WNT3A P56704 2/20 0.55
▸ NPC1 O15118 6/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPT P10636 5/20 0.51
▸ SLC6A4 P31645 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ MAOB P27338 2/20 0.49
▸ GAA P10253 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ USP2 O75604 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
SCHEMBL16560443 0.83 MAOB (0.52) CTNNB1WNT3ANPC1RAB9AMEN1
SCHEMBL4820685 0.81 NPC1 (0.67) CTNNB1WNT3ANPC1RAB9AKMT2A
SCHEMBL5754708 0.80 MAPT (0.65) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL28524682 0.80 MAOB (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL28533198 0.80 NPC1 (0.60) CTNNB1WNT3ANPC1RAB9AMEN1
SCHEMBL7626545 0.78 MAPT (0.65) CTNNB1WNT3ANPC1RAB9AMEN1
SCHEMBL31164296 0.77 MAPT (0.67) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL30307316 0.77 POLB (0.78) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5204288 0.77 NPC1 (0.64) CTNNB1WNT3ANPC1RAB9AMEN1
SCHEMBL17193969 0.75 MAPT (0.58) RAB9AMEN1KMT2AMAPTPOLB

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
CN-108203432-B Glucopyranosyl derivative and application thereof in medicine 宜昌东阳光长江药业股份有限公司 2021-03-02 — — CN disclosed
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