SCHEMBL29906102

SCHEMBL29906102

COC(=O)c1ccc(-c2nc3cc(C(=O)OC)ccc3[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.75
ALDH1A1 P00352 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
NPC1 O15118 1/20 0.75
LMNA P02545 1/20 0.75
PKM P14618 1/20 0.75
HPGD P15428 1/20 0.75
NFKB1 P19838 1/20 0.75
RAB9A P51151 1/20 0.75
NFKB2 Q00653 1/20 0.75
RELA Q04206 1/20 0.75
RHEB Q15382 1/20 0.74
MMP2 P08253 1/20 0.68
MMP9 P14780 1/20 0.68
MMP8 P22894 1/20 0.68
MMP13 P45452 1/20 0.68
TNKS O95271 1/20 0.59
ATM Q13315 1/20 0.56
IDO1 P14902 1/20 0.53
SIRT2 Q8IXJ6 3/20 0.51

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
SCHEMBL25318263 1.00 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL20982713 0.94 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL14381943 0.93 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL14381945 0.92 RHEB (0.71) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL3222740 0.92 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL1170648 0.91 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL4245435 0.91 ATM (0.65) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL9130717 0.90 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL3206969 0.89 SMN1; SMN2 (0.68) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL6178276 0.88 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2NPC1LMNA

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 4 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-113817152-B Flame-retardant anti-dripping copolyester based on high-temperature self-crosslinking and preparation method and application thereof 四川大学 2022-11-11 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