SCHEMBL29906196

SCHEMBL29906196

COC(=O)c1cc(C(=O)OC)cc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.78
ALDH1A1 P00352 7/20 0.78
SMN1; SMN2 Q16637 5/20 0.78
NPC1 O15118 5/20 0.78
RAB9A P51151 5/20 0.78
HPGD P15428 4/20 0.78
PKM P14618 2/20 0.78
LMNA P02545 1/20 0.78
NFKB1 P19838 1/20 0.78
NFKB2 Q00653 1/20 0.78
RELA Q04206 1/20 0.78
POLB P06746 2/20 0.60
TP53 P04637 1/20 0.60
MMP2 P08253 3/20 0.56
MMP9 P14780 3/20 0.56
MMP8 P22894 3/20 0.56
MMP13 P45452 3/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.54
RHEB Q15382 1/20 0.54

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
SCHEMBL28370796 1.00 KDM4E (0.78) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3335676 0.89 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2617471 0.87 NPC1 (1.00) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12834035 0.83 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16148370 0.80 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16147815 0.80 KMT2A (0.69) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6530058 0.80 NPC1 (0.83) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2617479 0.80 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3222740 0.80 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL20762507 0.79 NPC1 (0.63) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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-119931014-A Application of nonmetallic organic compound in catalytic synthesis of polyester, polyester and preparation method thereof 青岛大学 2025-05-06 CN disclosed
CN-114989406-B Application of non-metal organic compound in DMT method for synthesizing polyester, DMT method functional copolyester and preparation method thereof 青岛大学 2024-01-12 CN disclosed
CN-114989406-A Application of non-metallic organic compound in synthesis of polyester by DMT method, DMT method functional copolyester and preparation method thereof 青岛大学 2022-09-02 CN disclosed