SCHEMBL31229575

SCHEMBL31229575

C=C(C)c1cc2[nH]c(=O)c(C(=O)O)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
UCHL1 P09936 8/20 0.35
UCHL3 P15374 1/20 0.33
TGM2 P21980 1/20 0.33
CASP3 P42574 1/20 0.33
USP5 P45974 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRIK3 Q13003 1/20 0.32
KDM6B O15054 1/20 0.32
KDM4A O75164 1/20 0.32

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
SCHEMBL31229651 0.75 KDM4E (0.42) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL31229802 0.75 HSD17B10 (0.46) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL31229807 0.75 KDM4E (0.39) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL31229599 0.75 KDM4E (0.42) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL31229637 0.73 LMNA (0.40) POLB
SCHEMBL31229776 0.71 ALDH1A1 (0.49) KDM4EGAAHPGDALDH1A1POLB
SCHEMBL31229697 0.69 MCL1 (0.43) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL31229841 0.69 UCHL1 (0.44) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL4146436 0.68 DAO (0.61) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL31229812 0.65 KDM4E (0.43) KDM4EHSD17B10GAAHPGDALDH1A1

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
WO-2024222866-A1 CYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2024-10-31 WO disclosed