SCHEMBL31126988

SCHEMBL31126988

CCOC(=O)CCCNC(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.55
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ MGAM O43451 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ EPHX2 P34913 9/20 0.46
▸ ACHE P22303 1/20 0.46

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
SCHEMBL25349245 0.90 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL4415432 0.89 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL13213194 0.88 EPHX1 (0.56) EPHX1CYP1A2CYP3A4ALDH1A1GAA
SCHEMBL21538522 0.84 TSHR (0.61) EPHX1ALDH1A1SMN1; SMN2EPHX2ACHE
SCHEMBL20351213 0.83 EPHX1 (0.48) EPHX1ALDH1A1SMN1; SMN2EPHX2ACHE
SCHEMBL50331 0.82 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL572949 0.82 TDP1 (0.56) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL27673522 0.82 ACHE (0.64) SMN1; SMN2EPHX2ACHE
SCHEMBL15613918 0.81 ALDH1A1 (0.46) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL17891818 0.81 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6

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-4680656-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2026-01-21 — — EP disclosed
WO-2024194125-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2024-09-26 — — WO disclosed
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