SCHEMBL30030872

SCHEMBL30030872

COC(=O)c1cc2c(n(Cc3ccc(OC)cc3OC)c1=O)-c1nc3c(OC(F)F)cc(F)cn3c1CC2C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ NR3C2 P08235 1/20 0.32
▸ AADAT Q8N5Z0 2/20 0.32
▸ TP53 P04637 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ GHSR Q92847 2/20 0.31
▸ KLKB1 P03952 1/20 0.30
▸ P2RX7 Q99572 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL30031487 0.95 AADAT (0.33) MAPTTACR1AADATTP53RXFP1
SCHEMBL30032122 0.95 AADAT (0.33) MAPTTACR1AADATTP53RXFP1
SCHEMBL30032226 0.95 AADAT (0.33) MAPTTACR1AADATTP53RXFP1
SCHEMBL30031916 0.95 AADAT (0.33) MAPTTACR1AADATTP53RXFP1
SCHEMBL30031257 0.94 TACR1 (0.34) MAPTTACR1NR3C2AADATMDM2
SCHEMBL30031253 0.93 AADAT (0.33) MAPTTACR1AADATTP53RXFP1
SCHEMBL30031425 0.89 AADAT (0.34) MAPTTACR1AADATTP53
SCHEMBL30031821 0.89 AADAT (0.34) MAPTTACR1AADATTP53
SCHEMBL30031819 0.89 AADAT (0.34) MAPTTACR1AADATTP53
SCHEMBL30031479 0.89 AADAT (0.35) MAPTAADATTP53RXFP1BTK

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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