SCHEMBL29317430

SCHEMBL29317430

O=C(CCC1(CC2(CCC(=O)Oc3ccccc3)c3ccccc3-c3ccccc32)C2=CCC=C2c2ccccc21)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KMT2A Q03164 5/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL15691732 0.87 APEX1 (0.57) APEX1ALDH1A1MAPTPRSS1PRSS2
SCHEMBL29360310 0.87 APEX1 (0.57) APEX1ALDH1A1MAPTPRSS1PRSS2
SCHEMBL17022516 0.85 APEX1 (0.55) APEX1ALDH1A1MAPTPRSS1PRSS2
SCHEMBL15691583 0.80 APEX1 (0.63) APEX1ALDH1A1MAPTPRSS1PRSS2
SCHEMBL17022725 0.80 APEX1 (0.63) APEX1ALDH1A1MAPTPRSS1PRSS2
SCHEMBL17050248 0.80 APEX1 (0.49) APEX1ALDH1A1MAPTPRSS1PRSS2
SCHEMBL24350385 0.79 APEX1 (0.34) APEX1KMT2APDK2CYP19A1
SCHEMBL17022643 0.78 APEX1 (0.59) APEX1ALDH1A1MAPTPRSS1PRSS2
SCHEMBL17022624 0.78 APEX1 (0.59) APEX1ALDH1A1MAPTPRSS1PRSS2
SCHEMBL24349774 0.77 APEX1 (0.43) APEX1ALDH1A1MAPTPRSS1PRSS2

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
EP-4400490-A2 THERMOPLASTIC RESIN HAVING CARBONATE BOND Mitsubishi Chemical Corporation (JP) 2024-07-17 — — EP disclosed
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