SCHEMBL30740727

SCHEMBL30740727

CC(C)(C)OC(=O)N1CCCCC1=Cc1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ XDH P47989 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ UCHL1 P09936 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ HSD17B3 P37058 1/20 0.35
▸ SLC6A19 Q695T7 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNG P07510 1/20 0.34
▸ CHRNB1 P11230 1/20 0.34

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
SCHEMBL30115005 0.82 SMN1; SMN2 (0.41) KMT2AMEN1XDHEGFRUCHL1
SCHEMBL30740771 0.78 MKNK1 (0.36) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1363915 0.78 GRM5 (0.47) HSD11B1XDHBACE1
SCHEMBL30740714 0.77 NR1H4 (0.32) KMT2AMEN1USP30
SCHEMBL17542385 0.77 SMN1; SMN2 (0.43) KMT2AMEN1UCHL1SMN1; SMN2
SCHEMBL13974863 0.76 ESR2 (0.42) HSD11B1KMT2AMEN1XDHEGFR
SCHEMBL30740708 0.76 JAK2 (0.36) UCHL1
SCHEMBL6615893 0.76 HDAC1 (0.49) UCHL1ALDH1A1MAPTUSP30SMN1; SMN2
SCHEMBL22112364 0.76 ESR2 (0.46) HSD11B1XDHUCHL1MAPTUSP30
SCHEMBL18109844 0.72 ABHD6 (0.53) KMT2AMEN1HSD17B3BACE1

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-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 — — CN disclosed
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