SCHEMBL28970176

SCHEMBL28970176

CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCc2c1ccc(Br)c2F

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
BACE1 P56817 4/20 0.32
RORC P51449 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
APLNR P35414 1/20 0.30
GHSR Q92847 1/20 0.30

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
SCHEMBL30060575 1.00 NPC1 (0.32) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL24781343 1.00 NPC1 (0.32) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL30062444 1.00 NPC1 (0.32) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL24781183 1.00 NPC1 (0.32) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL18942818 0.78 LCK (0.34) NPC1RAB9AMEN1KMT2AGHSR
SCHEMBL31730656 0.77 BACE1 (0.41) NPC1RAB9ABACE1RECQLSMN1; SMN2
SCHEMBL4513886 0.77 HDAC4 (0.33) RORCAPLNR
SCHEMBL4835508 0.74 DPP8 (0.39) BACE1RORCAPLNRGHSR
SCHEMBL4835493 0.74 DPP8 (0.39) BACE1RORCAPLNRGHSR
SCHEMBL306307 0.73 GHSR (0.43) NPC1RAB9AMEN1KMT2ABACE1

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-115485275-A Compounds and compositions that inhibit HIF 2-alpha activity and methods of use thereof 诺华股份有限公司 2022-12-16 CN disclosed