SCHEMBL29149145

SCHEMBL29149145

COc1cc(C(=O)Oc2ccc(C#N)cc2C(C)=O)cc(OC)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.37
GCGR P47871 1/20 0.37
MEN1 O00255 1/20 0.36
MCL1 Q07820 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL29149146 0.81 HTT (0.44) KMT2AHPGDGCGRMEN1
SCHEMBL29149092 0.80 SMN1; SMN2 (0.49) KMT2AMAPTKDM4EHPGDALDH1A1
SCHEMBL30468153 0.79 AR (0.50) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL20855586 0.79 AR (0.50) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL29149141 0.71 MEN1 (0.46) KMT2AMAPTKDM4EHPGDALDH1A1
SCHEMBL7291041 0.71 AR (0.46) MAPTKDM4EMAPK1HPGDALDH1A1
SCHEMBL385459 0.70 AR (0.49) KMT2AMAPTKDM4EMAPK1HPGD
SCHEMBL29546482 0.70 AR (0.49) KMT2AMAPTKDM4EMAPK1HPGD
SCHEMBL4600875 0.69 ACLY (0.48) KMT2AMAPTALDH1A1MEN1MCL1
SCHEMBL917818 0.69 MAPT (0.50) KMT2AMAPTKDM4EPOLBMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029153-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2026-05-12 CN disclosed
CN-117447402-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2024-01-26 CN disclosed