SCHEMBL29940384

SCHEMBL29940384

CC(=O)Oc1ccc2cccc(OC(C)=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 4/20 0.47
GAA P10253 3/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 2/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
GLA P06280 2/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.45
PGR P06401 1/20 0.45

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
SCHEMBL1143252 1.00 KDM4E (0.50) KDM4ECYP3A4LMNAMAPTMAPK1
SCHEMBL8513832 0.90 MTNR1A (0.55) BACE1MTNR1AHTR2CHTR2BMTNR1B
SCHEMBL9476254 0.87 KDM4E (0.50) KDM4ECYP3A4LMNAMAPTMAPK1
SCHEMBL15653946 0.85 KMT2A (0.45) KDM4EMAPTMAPK1KMT2AGAA
SCHEMBL27524529 0.84 MTNR1A (0.54) KMT2AMTNR1AMTNR1B
SCHEMBL27343133 0.84 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL27965594 0.83 CYP3A4 (0.50) KDM4ECYP3A4MAPTMAPK1KMT2A
SCHEMBL10458103 0.83 LMNA (0.54) KDM4ECYP3A4LMNAGAAPOLB
SCHEMBL8399022 0.83 LMNA (0.50) KDM4ELMNAMAPTMAPK1KMT2A
SCHEMBL27504643 0.83 CYP3A4 (0.54) KDM4ECYP3A4LMNAGAAPOLB

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
EP-4308615-A1 SPHERICAL CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION W. R. Grace & Co.-Conn (US) 2024-01-24 EP disclosed
WO-2022197491-A1 SPHERICAL CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION W.R. GRACE & CO.-CONN. (US) 2022-09-22 WO disclosed