SCHEMBL24735751

SCHEMBL24735751

O=C(O)c1ccc(-c2ccc3sc4ccc(-c5ccc(C(=O)O)cc5)cc4c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RXRA P19793 8/20 0.48
RXRB P28702 7/20 0.48
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
ERN1 O75460 1/20 0.46
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
EGFR P00533 1/20 0.46
RXRG P48443 3/20 0.45
BCL2 P10415 1/20 0.45
CYP1A2 P05177 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
SCHEMBL24735745 0.85 KDM4E (0.49) KDM4ELMNAHSD17B10RXRARXRB
SCHEMBL31083627 0.84 KMO (0.59) LMNARXRARXRBERN1
SCHEMBL68523 0.84 CYP1A2 (0.53) KDM4ELMNATP53TSHRCYP1A2
SCHEMBL30445625 0.84 CYP1A2 (0.53) KDM4ELMNATP53TSHRCYP1A2
SCHEMBL2951733 0.80 RXRA (0.45) KDM4ELMNAHSD17B10RXRARXRB
SCHEMBL2947143 0.78 ERN1 (0.46) KDM4ELMNAHSD17B10RXRARXRB
SCHEMBL12887207 0.78 LIMK1 (0.48) KDM4ELMNAHSD17B10RXRARXRB
SCHEMBL12887203 0.78 LIMK1 (0.48) KDM4ELMNAHSD17B10RXRARXRB
SCHEMBL29828944 0.77 LIMK1 (0.51) KDM4ELMNAHSD17B10
SCHEMBL14296006 0.77 LIMK1 (0.51) KDM4ELMNAHSD17B10

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
WO-2024184503-A1 SULFUR-CONTAINING HETEROCYCLIC COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2024-09-12 WO disclosed
WO-2022255235-A1 METAL ORGANIC STRUCTURE, GAS-STORING AGENT COMPRISING SAME, AND GAS STORAGE METHOD USING SAME 学校法人立教学院 2022-12-08 WO disclosed