SCHEMBL27282951

SCHEMBL27282951

C=Cc1c(Oc2cccc(C(=O)O)c2)c(F)cc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.43
▸ KMO O15229 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ NR4A2 P43354 2/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PLAU P00749 1/20 0.36
▸ F10 P00742 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
SCHEMBL27276337 0.86 ASH1L (0.43) F10
SCHEMBL30285660 0.86 F10 (0.46) F10
SCHEMBL29336712 0.86 F10 (0.46) F10
SCHEMBL27283024 0.83 PRKAB2 (0.38) —
SCHEMBL30840100 0.83 PRKAB2 (0.38) —
SCHEMBL30750124 0.83 F10 (0.32) F10
SCHEMBL27275971 0.81 BRD4 (0.36) —
SCHEMBL30967927 0.80 AKR1C3 (0.43) AKR1C3KMONPC1POLBCYP2C9
SCHEMBL30750345 0.78 BTK (0.37) —
SCHEMBL27277710 0.78 BTK (0.37) —

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-2024054840-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 — — WO disclosed
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