SCHEMBL31329431

SCHEMBL31329431

CCC(=O)OCc1cc(=O)cc(COC(=O)CC)o1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
WRN Q14191 1/20 0.46
HIF1A Q16665 1/20 0.46
GAA P10253 2/20 0.40
ELANE P08246 7/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL31329415 0.89 ELANE (0.50) ALDH1A1HPGDCYP1A2CYP2C19BLM
SCHEMBL11845913 0.75 ALOX5 (0.48) ALDH1A1HPGDCYP1A2CYP2C19BLM
SCHEMBL31329406 0.72 ALOX5 (0.37) ALDH1A1HPGDCYP1A2KDM4EHSD17B10
SCHEMBL31329428 0.71 DAO (0.46) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL17695022 0.70 NPC1 (0.59) ALDH1A1KDM4EHSD17B10MAPK1KMT2A
SCHEMBL15926053 0.70 NPC1 (0.44) ALDH1A1HPGDCYP1A2CYP2C19GAA
SCHEMBL31329421 0.70 TDP1 (0.56) ALDH1A1HPGDHIF1AELANEKDM4E
SCHEMBL31329411 0.69 CA12 (0.33) ALDH1A1HPGDHIF1AKDM4E
SCHEMBL697079 0.69 ALDH1A1 (0.51) ALDH1A1HPGDCYP1A2CYP2C19BLM
SCHEMBL151021 0.69 ALDH1A1 (0.69) ALDH1A1HPGDGAAHSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119331143-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油天然气股份有限公司 2025-01-21 CN disclosed