SCHEMBL23395701

SCHEMBL23395701

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.33
▸ MAOB P27338 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ SRD5A1 P18405 1/20 0.32
▸ F2RL3 Q96RI0 4/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ RAB9A P51151 4/20 0.31
▸ NPC1 O15118 3/20 0.31
▸ APP P05067 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SLC16A3 O15427 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ KMT2A Q03164 2/20 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

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 0.87 MKNK1 (0.33) ALDH1A1HPGDF2RL3KDM4E
SCHEMBL23395654 0.84 F2RL3 (0.33) ALDH1A1SRD5A1F2RL3RAB9AAPP
SCHEMBL23395716 0.83 RAB9A (0.33) ALDH1A1HPGDGAAF2RL3RAB9A
SCHEMBL26291600 0.82 RAB9A (0.37) ALDH1A1MAOBHPGDGAAF2RL3
SCHEMBL23893470 0.81 S1PR1 (0.35) ALDH1A1MAOBHPGDGAAF2RL3
SCHEMBL26298436 0.79 F2RL3 (0.33) SRD5A1F2RL3APPCA2CA12
SCHEMBL23893416 0.79 KMT2A (0.47) ALDH1A1MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL25901396 0.78 CA2 (0.32) ALDH1A1HPGDGAARAB9ANPC1
SCHEMBL23893390 0.77 PPARA (0.39) ALDH1A1MAOBRAB9ANPC1APP
SCHEMBL23893402 0.77 PTPN1 (0.45) ALDH1A1MAOBHPGDGAAF2RL3

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 3 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-3889135-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2021-10-06 — — EP disclosed
EP-3583092-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-26 — — EP disclosed
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