SCHEMBL30032351

SCHEMBL30032351

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32
▸ CMA1 P23946 4/20 0.32
▸ MAPT P10636 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ TP53 P04637 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
SCHEMBL30032175 0.98 AADAT (0.34) AADATALDH1A1TSHRKMT2AMEN1
SCHEMBL30031819 0.96 AADAT (0.34) AADATALDH1A1TSHRKMT2AMEN1
SCHEMBL30031821 0.96 AADAT (0.34) AADATALDH1A1TSHRKMT2AMEN1
SCHEMBL30031425 0.96 AADAT (0.34) AADATALDH1A1TSHRKMT2AMEN1
SCHEMBL30031253 0.94 AADAT (0.33) AADATKMT2AMEN1TACR1MAPT
SCHEMBL30032607 0.94 ALDH1A1 (0.37) AADATALDH1A1TSHRKMT2AMEN1
SCHEMBL30031257 0.93 TACR1 (0.34) AADATALDH1A1TSHRKMT2AMEN1
SCHEMBL30031916 0.92 AADAT (0.33) AADATKMT2AMEN1TACR1MAPT
SCHEMBL30032226 0.90 AADAT (0.33) AADATKMT2AMEN1TACR1MAPT
SCHEMBL30031487 0.90 AADAT (0.33) AADATKMT2AMEN1TACR1MAPT

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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