SCHEMBL30539447

SCHEMBL30539447

CCOC(=O)c1ccc(CC)c(NC(=O)c2ccccc2N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ HSD17B10 Q99714 4/20 0.55
▸ RAB9A P51151 5/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ POLB P06746 4/20 0.51
▸ PKM P14618 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.49
▸ LMNA P02545 2/20 0.49
▸ PTGER4 P35408 2/20 0.48
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL30539412 0.81 ALDH1A1 (0.76) ALDH1A1HSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL14855618 0.81 HSD17B10 (0.69) ALDH1A1HSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL29154642 0.78 KDM4E (0.60) ALDH1A1HSD17B10RAB9ANPC1GAA
SCHEMBL16797142 0.76 ALDH1A1 (0.51) ALDH1A1HSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL15183757 0.74 KDM4E (0.53) ALDH1A1HSD17B10RAB9ANPC1MEN1
SCHEMBL16797151 0.74 ALDH1A1 (0.58) ALDH1A1HSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL8319324 0.73 RAB9A (0.64) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL30539428 0.73 ALDH1A1 (0.60) ALDH1A1HSD17B10RAB9ASMN1; SMN2MEN1
Ethyl Anthranilate SCHEMBL34474 0.73 ALDH1A1 (1.00) ALDH1A1HSD17B10RAB9ASMN1; SMN2NPC1
Ethyl Anthranilate SCHEMBL30055126 0.73 ALDH1A1 (1.00) ALDH1A1HSD17B10RAB9ASMN1; SMN2NPC1

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-116693416-B Aryloxy aminobenzoic acid derivative, and preparation method and application thereof 桂林医学院 2025-01-07 — — CN disclosed
CN-116693416-A Aryloxy aminobenzoic acid derivative, and preparation method and application thereof 桂林医学院 2023-09-05 — — CN disclosed
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