SCHEMBL30134836

SCHEMBL30134836

COC(=O)C1=Cc2ccccc2Oc2ccc(F)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.49
CA9 Q16790 9/20 0.49
LMNA P02545 2/20 0.48
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TRPA1 O75762 3/20 0.38
PDK2 Q15119 1/20 0.38
CA2 P00918 3/20 0.38
GPR84 Q9NQS5 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL24631402 1.00 CA12 (0.49) CA12CA9LMNAALOX5KDM4E
SCHEMBL962986 0.85 MAPT (0.50) CA12CA9LMNAALOX5KDM4E
SCHEMBL24631636 0.83 ALDH1A1 (0.38) CA12CA9LMNAALOX5KDM4E
SCHEMBL10094749 0.77 LMNA (0.45) CA12CA9LMNAALOX5KDM4E
SCHEMBL9949074 0.77 CA12 (0.54) CA12CA9LMNAALOX5KDM4E
SCHEMBL7770756 0.74 LMNA (0.60) CA12CA9LMNAKDM4EALDH1A1
SCHEMBL24631371 0.73 ALDH1A1 (0.43) CA12CA9LMNAALOX5KDM4E
SCHEMBL29009259 0.72 PDK2 (0.44) CA12CA9LMNAKDM4EALDH1A1
SCHEMBL24631663 0.71 CA12 (0.48) CA12CA9LMNAALOX5KDM4E
SCHEMBL30134806 0.71 CA12 (0.48) CA12CA9LMNAALOX5KDM4E

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-4319738-A1 TAAR1 AND SEROTONIN MODULATORS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2024-02-14 EP disclosed
WO-2022217265-A1 TAAR1 AND SEROTONIN MODULATORS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 WO disclosed