SCHEMBL23395722

SCHEMBL23395722

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ APP P05067 3/20 0.35
▸ PDE4D Q08499 2/20 0.34
▸ CYP19A1 P11511 8/20 0.33
▸ F2RL3 Q96RI0 2/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32

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
SCHEMBL23893560 0.92 KDM4E (0.36) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL23395715 0.84 ALDH1A1 (0.33) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL23395686 0.83 APP (0.35) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL23893552 0.83 PTPN1 (0.38) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL23893577 0.83 RAB9A (0.34) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL26292178 0.82 RAB9A (0.42) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL23395657 0.82 PTPN1 (0.49) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL23395697 0.82 APP (0.33) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL23893478 0.81 ALDH1A1 (0.33) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL23395599 0.77 PDE4D (0.54) PTPN1APPPDE4DCYP19A1

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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