SCHEMBL24200317

SCHEMBL24200317

CCOC(=O)Cc1ccc(F)cc1O/C(C)=C/C(Br)=C(\C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ EGFR P00533 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ PPARG P37231 1/20 0.33
▸ TBXAS1 P24557 1/20 0.33

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
SCHEMBL25918228 1.00 PTGS2 (0.35) PTGS2PTGS1MEN1KMT2ANPSR1
SCHEMBL24199970 0.91 PTGS2 (0.34) PTGS2PTGS1MEN1KMT2ANPSR1
SCHEMBL24200298 0.91 PTGS2 (0.35) PTGS2PTGS1MEN1KMT2ANPSR1
SCHEMBL25919838 0.90 MEN1 (0.34) PTGS2PTGS1MEN1KMT2ANPSR1
SCHEMBL21455829 0.90 MEN1 (0.34) PTGS2PTGS1MEN1KMT2ANPSR1
SCHEMBL25918206 0.89 MAOB (0.35) PTGS2PTGS1MEN1KMT2ANPSR1
SCHEMBL21455199 0.89 MAOB (0.35) PTGS2PTGS1MEN1KMT2ANPSR1
SCHEMBL24200319 0.84 MEN1 (0.32) PTGS2PTGS1MEN1KMT2ANPSR1
SCHEMBL24200210 0.83 MEN1 (0.33) PTGS2PTGS1MEN1KMT2ANPSR1
SCHEMBL21455828 0.82 MEN1 (0.32) PTGS2PTGS1MEN1KMT2ANPSR1

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
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
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