SCHEMBL28579006

SCHEMBL28579006

CC(C)(C)NC(=O)O[C@@H](CO)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PRSS1 P07477 2/20 0.45
▸ CTSG P08311 2/20 0.45
▸ CTRB1 P17538 2/20 0.45
▸ CMA1 P23946 2/20 0.45
▸ TSHR P16473 1/20 0.42
▸ MMP12 P39900 2/20 0.42
▸ MMP2 P08253 4/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL27765430 1.00 NPC1 (0.48) NPC1RAB9AMAPTPRSS1CTSG
SCHEMBL27794800 0.86 CTSK (0.49) NPC1RAB9AMAPTTSHRCTSS
SCHEMBL14716956 0.86 CTSK (0.49) NPC1RAB9AMAPTTSHRCTSS
SCHEMBL15311168 0.86 CTSK (0.49) NPC1RAB9AMAPTTSHRCTSS
SCHEMBL27626876 0.84 NPC1 (0.44) NPC1RAB9AMAPTPRSS1CTSG
SCHEMBL29046848 0.83 NPC1 (0.43) NPC1RAB9AMAPTPRSS1CTSG
SCHEMBL28763879 0.81 PPARA (0.46) NPC1RAB9AMAPTCTSSSCN9A
SCHEMBL28533077 0.81 PPARA (0.46) NPC1RAB9AMAPTCTSSSCN9A
SCHEMBL29060746 0.78 CTSK (0.47) NPC1RAB9AMAPTCTRB1CTSS
SCHEMBL18114457 0.76 LMNA (0.47) TSHRMMP12KMT2ASMN1; 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
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 — — CN disclosed
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