SCHEMBL30031257

SCHEMBL30031257

COc1ccc(Cn2c3c(cc(C(=O)O)c2=O)C(C(C)(C)C)Cc2c-3nc3c(OC(F)F)cc(F)cn23)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ AADAT Q8N5Z0 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KDM4C Q9H3R0 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ CMA1 P23946 4/20 0.31
▸ MDM2 Q00987 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
SCHEMBL30031425 0.95 AADAT (0.34) TACR1MAPTAADATALDH1A1TSHR
SCHEMBL30031821 0.95 AADAT (0.34) TACR1MAPTAADATALDH1A1TSHR
SCHEMBL30031819 0.95 AADAT (0.34) TACR1MAPTAADATALDH1A1TSHR
SCHEMBL30032175 0.95 AADAT (0.34) TACR1MAPTAADATALDH1A1TSHR
SCHEMBL30030872 0.94 MAPT (0.34) TACR1MAPTAADATNR3C2MDM2
SCHEMBL30032351 0.93 AADAT (0.34) TACR1MAPTAADATALDH1A1TSHR
SCHEMBL30032226 0.89 AADAT (0.33) TACR1MAPTAADATKMT2AMEN1
SCHEMBL30031487 0.89 AADAT (0.33) TACR1MAPTAADATKMT2AMEN1
SCHEMBL30032122 0.89 AADAT (0.33) TACR1MAPTAADATKMT2AMEN1
SCHEMBL30032607 0.89 ALDH1A1 (0.37) MAPTAADATALDH1A1TSHRKMT2A

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-2022214937-A1 SUBSTITUTED TETRACYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-10-13 — — WO disclosed
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