SCHEMBL25900671

SCHEMBL25900671

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2RL3 Q96RI0 4/20 0.34
▸ MKNK1 Q9BUB5 4/20 0.33
▸ MKNK2 Q9HBH9 2/20 0.33
▸ APP P05067 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KLK7 P49862 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31

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
SCHEMBL23395535 0.84 MKNK1 (0.33) F2RL3MKNK1MKNK2ALDH1A1HPGD
SCHEMBL23395493 0.84 SRD5A1 (0.32) F2RL3MKNK1MKNK2ALDH1A1HPGD
SCHEMBL23395582 0.82 KLK7 (0.33) MKNK1MKNK2HPGDKDM4EKLK7
SCHEMBL23893526 0.82 MEN1 (0.45) F2RL3APPALDH1A1HPGDKDM4E
SCHEMBL23395654 0.81 F2RL3 (0.33) F2RL3MKNK1APPALDH1A1PTPN1
SCHEMBL26292135 0.77 RAB9A (0.38) F2RL3APPALDH1A1HPGDKDM4E
SCHEMBL23395670 0.77 KLK7 (0.39) APPALDH1A1HPGDKDM4EHTT
SCHEMBL23395566 0.76 PTPN1 (0.48) F2RL3APPALDH1A1HPGDKDM4E
SCHEMBL23395661 0.76 ALDH1A1 (0.42) F2RL3ALDH1A1KLK7PTPN1MAOA
SCHEMBL26298436 0.75 F2RL3 (0.33) F2RL3MKNK1APPPTPN1CA2

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-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 — — EP disclosed
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