SCHEMBL28351050

SCHEMBL28351050

O=CC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.64
▸ MEN1 O00255 6/20 0.64
▸ KMT2A Q03164 6/20 0.64
▸ KDM4E B2RXH2 4/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ HPGD P15428 1/20 0.64
▸ LMNA P02545 4/20 0.60
▸ SLC6A2 P23975 2/20 0.60
▸ FNTA P49354 1/20 0.60
▸ FNTB P49356 1/20 0.60
▸ PKM P14618 2/20 0.57
▸ CYP3A4 P08684 2/20 0.55
▸ AHR P35869 1/20 0.55
▸ GPR84 Q9NQS5 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ TSHR P16473 2/20 0.51
▸ BLM P54132 2/20 0.51

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
SCHEMBL18381478 0.85 MAPT (0.62) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL10088137 0.83 MEN1 (0.59) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29407882 0.82 MAPT (0.72) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL21479833 0.82 MAPT (0.72) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8792001 0.82 MEN1 (0.58) MAPTMEN1KMT2AKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL30486253 0.81 MAPT (0.61) MAPTMEN1KMT2AKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL26344 0.81 MEN1 (0.75) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL3448734 0.81 MAPT (0.70) MAPTMEN1KMT2AKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL7887240 0.81 MEN1 (0.75) MAPTMEN1KMT2AKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL29350750 0.81 MEN1 (0.75) MAPTMEN1KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110157746-B Method for synthesizing auxin by microorganisms 赣南师范大学 2022-12-13 — — CN disclosed
CN-111705028-A Microorganisms and methods for making 4-hydroxybutyrate, 1, 4-butanediol, and related compounds 基因组股份公司 2020-09-25 — — CN disclosed
CN-110787174-A Application of polygala tenuifolia saponin and brain protection medicine 吉林化工学院 2020-02-14 — — CN disclosed
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