SCHEMBL31119836

SCHEMBL31119836

N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 7/20 0.77
▸ MAPT P10636 3/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ KDM4E B2RXH2 2/20 0.69
▸ LMNA P02545 1/20 0.69
▸ MPO P05164 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ BLM P54132 1/20 0.69
▸ PMP22 Q01453 1/20 0.69
▸ HIF1A Q16665 1/20 0.69
▸ HSP90AA1 P07900 1/20 0.60
▸ HSP90AB1 P08238 1/20 0.60
▸ LTA4H P09960 1/20 0.60
▸ PLA2G2A P14555 1/20 0.60
▸ LNPEP Q9UIQ6 1/20 0.59
▸ NMBR P28336 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ERAP1 Q9NZ08 3/20 0.55
▸ IL1RN P18510 2/20 0.55

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
SCHEMBL1167914 1.00 TACR1 (0.77) TACR1MAPTMEN1KMT2AKDM4E
SCHEMBL8025702 1.00 TACR1 (0.77) TACR1MAPTMEN1KMT2AKDM4E
SCHEMBL1167913 1.00 TACR1 (0.77) TACR1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL29401056 0.99 TACR1 (0.75) TACR1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL29401116 0.99 TACR1 (0.75) TACR1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL28897384 0.99 TACR1 (0.75) TACR1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4685036 0.99 TACR1 (0.75) TACR1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL3950971 0.99 TACR1 (0.75) TACR1MAPTMEN1KMT2AKDM4E
Phosphoric Acid SCHEMBL27857626 0.95 TACR1 (0.71) TACR1MAPTMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL8787864 0.93 TACR1 (0.68) TACR1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666837-A GPX4 protein degradation agent, preparation method and application thereof 首都医科大学 2024-09-20 — — CN disclosed
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