SCHEMBL29015053

SCHEMBL29015053

Nc1ccc(C(=O)Oc2cc(N)ccc2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ ESR2 Q92731 2/20 0.58
▸ ESR1 P03372 1/20 0.58
▸ MAPT P10636 5/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ CYP3A4 P08684 4/20 0.49
▸ GAA P10253 2/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ KMT2A Q03164 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL3628204 0.83 ALDH1A1 (0.60) ALDH1A1ESR2ESR1MAPTKDM4E
SCHEMBL30343057 0.83 KDM4E (0.58) ALDH1A1ESR2ESR1MAPTKDM4E
SCHEMBL28489218 0.82 ESR1 (0.65) ALDH1A1ESR2ESR1MAPTKDM4E
SCHEMBL3628199 0.82 ALDH1A1 (0.66) ALDH1A1ESR2ESR1MAPTKDM4E
SCHEMBL10784196 0.81 ESR1 (0.63) ALDH1A1ESR2ESR1MAPTKDM4E
SCHEMBL9949353 0.81 ALDH1A1 (0.66) ALDH1A1ESR2ESR1MAPTKDM4E
SCHEMBL831732 0.81 KDM4E (0.64) ALDH1A1ESR2ESR1MAPTKDM4E
SCHEMBL28188089 0.81 ALDH1A1 (0.64) ALDH1A1ESR2ESR1MAPTKDM4E
SCHEMBL4737527 0.79 ALDH1A1 (0.69) ALDH1A1ESR2ESR1MAPTKDM4E
SCHEMBL5058312 0.79 ESR2 (0.56) ALDH1A1ESR2ESR1MAPTKDM4E

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-116239988-A Adhesive, and preparation method and application thereof 安徽壹石通材料科学研究院有限公司 2023-06-09 — — CN claimed
CN-116239988-A Adhesive, and preparation method and application thereof 安徽壹石通材料科学研究院有限公司 2023-06-09 — — CN disclosed
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