SCHEMBL25974635

SCHEMBL25974635

CC(C)(O)C(C)(C)OBc1ccccc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.37
▸ AHR P35869 1/20 0.36
▸ CACNA1B Q00975 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LIPE Q05469 2/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LTA4H P09960 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ HTR2A P28223 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
SCHEMBL21236875 0.79 CA1 (0.36) SLC6A4AHRL3MBTL1RAB9AMEN1
SCHEMBL25974598 0.77 MAPK14 (0.40) SLC6A4AHRCACNA1BL3MBTL1RAB9A
SCHEMBL21765157 0.75 MEN1 (0.39) L3MBTL1RAB9AMEN1KMT2AMAPT
SCHEMBL18428342 0.74 PTGS1 (0.35) AHRKDM4ECA1CA2CA9
SCHEMBL28638978 0.73 L3MBTL1 (0.52) SLC6A4CACNA1BL3MBTL1RAB9AKMT2A
SCHEMBL23288678 0.71 HTR2A (0.35) KMT2AMAPTLMNAKDM4EALDH1A1
SCHEMBL29317108 0.71 CES2 (0.39) MEN1KMT2A
SCHEMBL23312577 0.70 — —
SCHEMBL22791773 0.69 TSHR (0.36) L3MBTL1RAB9AMAPTLMNAKDM4E
SCHEMBL24074578 0.69 TSHR (0.32) —

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
WO-2023146513-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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