SCHEMBL23395697

SCHEMBL23395697

CCc1ncccc1-c1cc2ccc(OC(C)(C)CC(C)(C)OC(=O)C(C)(CC(C)(C)N)C(C)(C)N)cc2o1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ MEN1 O00255 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
SCHEMBL23893577 0.89 RAB9A (0.34) APPALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL23395715 0.84 ALDH1A1 (0.33) APPALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL23395722 0.82 ALDH1A1 (0.36) APPALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL23395590 0.82 NPC1 (0.33) APPALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL23893478 0.81 ALDH1A1 (0.33) APPALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL23395563 0.77 KDM4E (0.34) APPALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL23893559 0.77 NPC1 (0.32) APPALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL23893560 0.76 KDM4E (0.36) APPALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL25898863 0.76 ALDH1A1 (0.33) APPALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL26292178 0.74 RAB9A (0.42) APPALDH1A1RAB9ASMN1; SMN2KDM4E

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-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 — — EP disclosed
EP-3583092-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-26 — — EP disclosed
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