SCHEMBL11116676

SCHEMBL11116676

O=C(O)c1cccc(C(=O)OCC2CO2)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.46
NPC1 O15118 1/20 0.44
DHFR P00374 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL157781 0.94 ALDH1A1 (0.47) MGLLNPC1DHFRALDH1A1TP53
SCHEMBL31326596 0.91 NPC1 (0.46) MGLLNPC1DHFRALDH1A1TP53
Dioxane SCHEMBL11840291 0.88 PPARG (0.41) NPC1CHRNB2CHRNA4
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL19837666 0.88 NPC1 (0.52) MGLLNPC1TSHRCHRNB2CHRNA4
SCHEMBL28073407 0.87 MGLL (0.43) MGLLALDH1A1TP53CYP3A4
SCHEMBL16584752 0.87 KDM4E (0.44) MGLLALDH1A1
Isophthalic Acid SCHEMBL3123384 0.86 ALDH1A1 (0.46) MGLLALDH1A1TP53CYP3A4TSHR
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL133986 0.85 NPC1 (0.56) MGLLNPC1HIF1ACHRNB2CHRNA4
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL21245419 0.85 NPC1 (0.56) MGLLNPC1HIF1ACHRNB2CHRNA4
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL5604855 0.85 NPC1 (0.56) MGLLNPC1HIF1ACHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114891348-B Polyamide and preparation method thereof 江西百盛精细化学品有限公司 2023-08-15 CN claimed
CN-116376284-B Polymer friction plate and application thereof in wind power sliding bearing 衡水众成摩擦材料有限公司 2023-08-04 CN claimed
CN-116376284-A Polymer friction plate and application thereof in wind power sliding bearing 衡水众成摩擦材料有限公司 2023-07-04 CN claimed
CN-114891348-A Polyamide and preparation method thereof 江西百盛精细化学品有限公司 2022-08-12 CN claimed
CN-109054301-B Fluorescent pigment for injection molding and preparation method thereof 黄山加佳荧光材料有限公司 2020-12-01 CN claimed
CN-114891348-B Polyamide and preparation method thereof 江西百盛精细化学品有限公司 2023-08-15 CN disclosed
CN-116376284-B Polymer friction plate and application thereof in wind power sliding bearing 衡水众成摩擦材料有限公司 2023-08-04 CN disclosed
CN-116376284-A Polymer friction plate and application thereof in wind power sliding bearing 衡水众成摩擦材料有限公司 2023-07-04 CN disclosed
CN-114891348-A Polyamide and preparation method thereof 江西百盛精细化学品有限公司 2022-08-12 CN disclosed
CN-108713044-B Polycarbonate resin composition and molded article thereof 出光兴产株式会社 2021-08-17 CN disclosed
CN-108431131-B Polycarbonate resin composition and molded article thereof 出光兴产株式会社 2021-06-01 CN disclosed
CN-109054301-B Fluorescent pigment for injection molding and preparation method thereof 黄山加佳荧光材料有限公司 2020-12-01 CN disclosed
US-4433079-A EPOXY RESIN (OR POLYEPOXIDE) WITH A POLYETHYLENIMINE MODIFIED WITH A MONOEPOXY COMPOUND NIPPON SODA COMPANY LIMITED (JP) 1984-02-21 US disclosed