SCHEMBL29458253

SCHEMBL29458253

O=C(CC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.76
KMT2A Q03164 1/20 0.76
CTNNB1 P35222 6/20 0.68
WNT3A P56704 5/20 0.68
ALDH1A1 P00352 4/20 0.67
MAPK1 P28482 1/20 0.67
MAOB P27338 3/20 0.62
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 1/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPK9 P45984 1/20 0.59
SRD5A2 P31213 1/20 0.59
ATM Q13315 1/20 0.59

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
SCHEMBL2237626 1.00 MEN1 (0.76) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL8961590 0.92 CTNNB1 (0.82) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL5381632 0.91 MEN1 (0.69) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL26475136 0.90 MEN1 (0.64) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL9701628 0.90 MEN1 (0.72) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL6486626 0.87 CTNNB1 (0.66) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL4865452 0.87 CTNNB1 (0.66) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL13516462 0.87 MEN1 (1.00) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL1660203 0.86 CTNNB1 (0.61) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL26624014 0.86 KMT2A (0.72) MEN1KMT2ACTNNB1WNT3AALDH1A1

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
EP-4214255-A1 REACTIVE COMPOUND FOR PRODUCING POLYURETHANE LAYERS HAVING THERMALLY ACTIVATABLE CATALYST SYSTEMS Benecke-Kaliko AG (DE) 2023-07-26 EP disclosed
CN-116096772-A Reactive mixtures for producing polyurethane layers with heat-activatable catalyst systems 贝内克-凯利科股份公司 2023-05-09 CN disclosed
WO-2022057985-A1 REACTIVE COMPOUND FOR PRODUCING POLYURETHANE LAYERS HAVING THERMALLY ACTIVATABLE CATALYST SYSTEMS BENECKE-KALIKO AG (DE) 2022-03-24 WO disclosed