SCHEMBL30032108

SCHEMBL30032108

COc1ccc(Cn2c3c(cc(C(=O)O)c2=O)C(C(C)(C)C)Cc2c-3nc3c(OC(F)F)c(OC)ccn23)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 2/20 0.36
▸ TACR1 P25103 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KLKB1 P03952 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
SCHEMBL30031262 0.94 AADAT (0.34) AADATTACR1ALDH1A1TP53KMT2A
SCHEMBL30031819 0.89 AADAT (0.34) AADATTACR1ALDH1A1TSHRTP53
SCHEMBL30031821 0.89 AADAT (0.34) AADATTACR1ALDH1A1TSHRTP53
SCHEMBL30031425 0.89 AADAT (0.34) AADATTACR1ALDH1A1TSHRTP53
SCHEMBL30032351 0.89 AADAT (0.34) AADATTACR1ALDH1A1TSHRTP53
SCHEMBL30032175 0.88 AADAT (0.34) AADATTACR1ALDH1A1TSHRTP53
SCHEMBL30031257 0.87 TACR1 (0.34) AADATTACR1ALDH1A1TSHRKMT2A
SCHEMBL30031279 0.87 CMA1 (0.37) AADATALDH1A1TSHRTP53KMT2A
SCHEMBL30032607 0.85 ALDH1A1 (0.37) AADATALDH1A1TSHRTP53KMT2A
SCHEMBL30031908 0.85 TACR1 (0.36) AADATTACR1ALDH1A1TSHRTP53

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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