SCHEMBL23395535

SCHEMBL23395535

C=C(C)C(=O)OC(C)(C)CC(C)Oc1ccc2cc(-c3cccn3C)oc2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KLK7 P49862 1/20 0.30
▸ F2RL3 Q96RI0 2/20 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
SCHEMBL23395493 0.88 SRD5A1 (0.32) MKNK1MKNK2KDM4EALDH1A1HPGD
SCHEMBL23395701 0.87 ALDH1A1 (0.33) KDM4EALDH1A1HPGDF2RL3
SCHEMBL23893404 0.85 MAPT (0.41) KDM4EALDH1A1HPGDHTTKLK7
SCHEMBL23395582 0.84 KLK7 (0.33) MKNK1MKNK2KDM4EHPGDKLK7
SCHEMBL25900671 0.84 F2RL3 (0.34) MKNK1MKNK2KDM4EALDH1A1HPGD
SCHEMBL25895737 0.81 RAB9A (0.35) KDM4EALDH1A1HPGDHTTKLK7
SCHEMBL23395634 0.81 S1PR1 (0.34) MKNK1MKNK2
SCHEMBL26291600 0.79 RAB9A (0.37) MKNK1KDM4EALDH1A1HPGDF2RL3
SCHEMBL25896219 0.78 MAOA (0.37) KLK7
SCHEMBL23395627 0.78 NPC1 (0.32) MKNK1MKNK2KDM4EALDH1A1HPGD

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-3583092-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-26 — — EP disclosed
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