SCHEMBL31399261

SCHEMBL31399261

COC(=O)c1cc([Na])cc(C(=O)OC)c1S(=O)(=O)O.Cc1c([Na])c(C)c(C(=O)O)c(S(=O)(=O)O)c1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 5/20 0.32
HPGD P15428 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
ABL1 P00519 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
RIN1 Q13671 1/20 0.32
SAE1 Q9UBE0 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
SCHEMBL471894 0.84 CA1 (0.39) L3MBTL1KMT2AGAAKDM4EHPGD
SCHEMBL5659311 0.80 KDM4E (0.33) KMT2AMEN1GAAKDM4EHPGD
SCHEMBL471895 0.80 METAP2 (0.30)
SCHEMBL10491295 0.72 TSHR (0.41) L3MBTL1KMT2AMEN1KDM4EHPGD
SCHEMBL63328 0.71 CYP2D6 (0.42) L3MBTL1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL5659747 0.70
SCHEMBL5659316 0.70
SCHEMBL5697551 0.70 KDM4E (0.37) KMT2AGAAKDM4EHPGDFFAR4
SCHEMBL8899334 0.69 ALDH1A1 (0.43) KMT2AMEN1KDM4EHPGDLMNA
SCHEMBL8604904 0.69 CA1 (0.42) L3MBTL1KMT2AGAAKDM4EHPGD

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-119452015-A Polyester polymers for hair care 西恩斯科公司 2025-02-14 CN disclosed