SCHEMBL23617338

SCHEMBL23617338

CCOC(=O)Cc1ccc(F)cc1OC(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ TBXAS1 P24557 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NR4A1 P22736 1/20 0.36

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
SCHEMBL21455802 0.90 ALDH1A1 (0.42) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL23656658 0.88 MEN1 (0.39) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL21455436 0.85 MEN1 (0.37) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL23229153 0.83 TBXAS1 (0.48) TBXAS1PKMTDP1
SCHEMBL23229180 0.83 TBXAS1 (0.43) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL18642486 0.83 DPP4 (0.46) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL21456024 0.81 DPP4 (0.41) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL23656748 0.80 MEN1 (0.34) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL21455827 0.80 ALDH1A1 (0.48) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL23850649 0.79 MEN1 (0.41) MEN1KMT2ANPSR1POLBHPGD

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-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 — — EP disclosed
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