SCHEMBL28916572

SCHEMBL28916572

O=C(C(=O)N1CCCCC1)c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.65
▸ RAB9A P51151 3/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ LMNA P02545 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ CES2 O00748 1/20 0.54
▸ CES1 P23141 1/20 0.54
▸ POLB P06746 2/20 0.49
▸ PHGDH O43175 1/20 0.49
▸ L3MBTL3 Q96JM7 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL28916557 0.98 HPGD (0.67) HPGDRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL23564897 0.83 HPGD (0.58) HPGDRAB9ANPC1ALDH1A1LMNA
SCHEMBL17974502 0.82 PHGDH (0.71) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL28916556 0.81 RAB9A (0.57) HPGDRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL28916559 0.81 CES2 (0.54) HPGDRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL969583 0.81 HPGD (0.96) HPGDALDH1A1LMNAUSP2ALOX12
SCHEMBL24185725 0.81 HPGD (0.96) HPGDALDH1A1LMNAUSP2ALOX12
SCHEMBL5564719 0.81 HPGD (0.66) HPGDALDH1A1LMNAUSP2POLB
SCHEMBL28916562 0.79 CES2 (0.56) HPGDRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL28917068 0.79 CES2 (0.56) HPGDRAB9AALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115504946-B Method for synthesizing alpha-ketoamide compound 武汉工程大学 2023-12-15 — — CN disclosed
CN-115504946-A Method for synthesizing alpha-keto amide compound 武汉工程大学 2022-12-23 — — CN disclosed
Send feedback