SCHEMBL22308234

SCHEMBL22308234

O=CC(=O)C(CCC(=O)Oc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ELANE P08246 1/20 0.36
▸ SLC1A3 P43003 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL22308226 0.77 TET2 (0.45) KMT2APRSS1PRSS2PRSS3EGFR
SCHEMBL19490630 0.76 PRSS1 (0.46) KMT2APRSS1PRSS2PRSS3EGFR
SCHEMBL8064264 0.76 LTA4H (0.55) KMT2APRSS1PRSS2PRSS3ALDH1A1
SCHEMBL1810781 0.76 LTA4H (0.55) KMT2APRSS1PRSS2PRSS3ALDH1A1
SCHEMBL43742 0.75 KMT2A (0.61) KMT2APRSS1PRSS2PRSS3EGFR
SCHEMBL666850 0.75 ALDH1A1 (0.48) KMT2APRSS1PRSS2PRSS3EGFR
SCHEMBL29165380 0.75 PRSS1 (0.46) KMT2APRSS1PRSS2PRSS3EGFR
SCHEMBL27484392 0.75 ALDH1A1 (0.48) KMT2APRSS1PRSS2PRSS3EGFR
SCHEMBL11815316 0.73 ALDH1A1 (0.47) KMT2APRSS1PRSS2PRSS3EGFR
SCHEMBL11514392 0.73 CYP19A1 (0.47) KMT2APRSS1PRSS2PRSS3EGFR

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-3919481-A1 LYMPHATIC MEDIATED TRANSPORT-BASED TRIGLYCERIDE PRODRUG, AND PREPARATION METHOD THEREFOR Shenyang Pharmaceutical University (CN) 2021-12-08 — — EP disclosed
WO-2020156307-A1 LYMPHATIC MEDIATED TRANSPORT-BASED TRIGLYCERIDE PRODRUG, AND PREPARATION METHOD THEREFOR 沈阳药科大学 2020-08-06 — — WO disclosed
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