SCHEMBL29368299

SCHEMBL29368299

CCC(=O)c1cc(Br)c(F)cc1O[C@@H](CF)COCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
AR P10275 1/20 0.34
CTSB P07858 1/20 0.33
SLC1A1 P43005 2/20 0.33
UGCG Q16739 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
BRD4 O60885 1/20 0.32
ABCB1 P08183 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PSMB11 A5LHX3 1/20 0.32
PSMD11 O00231 1/20 0.32
PSMD12 O00232 1/20 0.32
PSMD14 O00487 1/20 0.32
PSMA7 O14818 1/20 0.32

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
SCHEMBL28672381 1.00 SMN1; SMN2 (0.35) SMN1; SMN2NPC1HPGDRAB9AAPOBEC3A
SCHEMBL22823743 1.00 SMN1; SMN2 (0.35) SMN1; SMN2NPC1HPGDRAB9AAPOBEC3A
SCHEMBL31324222 0.90 MAOB (0.36) SMN1; SMN2ARCTSBSLC1A1UGCG
SCHEMBL28688897 0.88 PPARA (0.37) SMN1; SMN2NPC1HPGDRAB9AAPOBEC3A
SCHEMBL22823975 0.88 PPARA (0.37) SMN1; SMN2NPC1HPGDRAB9AAPOBEC3A
SCHEMBL29369333 0.88 PPARA (0.37) SMN1; SMN2NPC1HPGDRAB9AAPOBEC3A
SCHEMBL22823736 0.85 PTGER1 (0.40) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL28673201 0.85 PTGER1 (0.40) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL29368013 0.85 PTGER1 (0.40) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL22823744 0.81 HMGCR (0.30)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008012-B Compounds for the treatment of neuromuscular disorders NMD制药股份公司 2025-02-25 CN disclosed
EP-3986852-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2022-04-27 EP disclosed
CN-114008012-A Compounds for the treatment of neuromuscular disorders NMD制药股份公司 2022-02-01 CN disclosed