SCHEMBL30456877

SCHEMBL30456877

Nc1cc(-c2ccccc2)ccc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.71
ACMSD Q8TDX5 3/20 0.63
HNF4A P41235 2/20 0.63
IKBKB O14920 1/20 0.59
KDM4E B2RXH2 3/20 0.59
KMT2A Q03164 3/20 0.59
GFER P55789 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
MCL1 Q07820 2/20 0.58
DHFR P00374 1/20 0.58
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 2/20 0.57
MEN1 O00255 2/20 0.57
GAA P10253 2/20 0.57
ALOX15 P16050 2/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
HSP90AA1 P07900 1/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL2575452 1.00 PPM1B (0.71) PPM1BACMSDHNF4AIKBKBKDM4E
SCHEMBL23499274 0.94 PPM1B (0.79) PPM1BACMSDHNF4AIKBKBKDM4E
SCHEMBL29908977 0.94 PPM1B (0.79) PPM1BACMSDHNF4AIKBKBKDM4E
SCHEMBL29436316 0.92 PPM1B (0.75) PPM1BACMSDHNF4AIKBKBKDM4E
SCHEMBL710309 0.92 PPM1B (0.75) PPM1BACMSDHNF4AIKBKBKDM4E
SCHEMBL17177763 0.88 PPM1B (0.70) PPM1BACMSDHNF4AIKBKBKDM4E
SCHEMBL30314350 0.88 PPM1B (0.70) PPM1BACMSDHNF4AIKBKBKDM4E
SCHEMBL13522904 0.87 PPM1B (0.56) PPM1BACMSDHNF4AIKBKBKDM4E
SCHEMBL3793566 0.86 IKBKB (0.73) PPM1BACMSDHNF4AIKBKBKDM4E
SCHEMBL6851164 0.86 PPM1B (0.74) PPM1BACMSDHNF4AKDM4EKMT2A

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-119306730-A Cyclic ether modified 3-cyano-4-arylaminoquinoline derivative as well as preparation method and application thereof 河北医科大学 2025-01-14 CN disclosed
CN-116253898-B Metal-organic frame material for optical wireless communication, ligand and application thereof 吉林省卓材新研科技有限公司 2023-08-01 CN disclosed
CN-116253898-A Metal-organic frame material for optical wireless communication, ligand and application thereof 吉林省卓材新研科技有限公司 2023-06-13 CN disclosed