SCHEMBL22903580

SCHEMBL22903580

CC(C)(C)OC(=O)N1CC(CF)OCC1Cc1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.37
▸ NR1H3 Q13133 3/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ RORC P51449 2/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ FPR3 P25089 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ KCNK3 O14649 2/20 0.34
▸ KCNK9 Q9NPC2 2/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ EPHA2 P29317 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
SCHEMBL22903589 1.00 NR1H2 (0.37) NR1H2NR1H3KMT2ARORCUSP30
SCHEMBL22903606 0.90 NR1H2 (0.38) NR1H2NR1H3KMT2ARORCFPR3
SCHEMBL22903811 0.90 NR1H2 (0.38) NR1H2NR1H3KMT2ARORCFPR3
SCHEMBL26438655 0.89 NR1H2 (0.37) NR1H2NR1H3KMT2A
SCHEMBL30612496 0.89 NR1H2 (0.37) NR1H2NR1H3KMT2ARORCUSP30
SCHEMBL26707623 0.88 KMT2A (0.38) NR1H2NR1H3KMT2ARORCUSP30
SCHEMBL26707624 0.87 NR1H2 (0.41) NR1H2NR1H3KMT2ARORCKCNK3
SCHEMBL26707622 0.85 NR1H2 (0.40) NR1H2NR1H3KMT2ARORCFPR3
SCHEMBL26439338 0.84 KMT2A (0.41) NR1H2NR1H3KMT2ARORCFPR3
SCHEMBL26439349 0.84 NR1H2 (0.39) NR1H2NR1H3KMT2ARORCUSP30

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-2021009209-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS Oncoarendi Therapeutics S.A. (PL) 2021-01-21 — — WO disclosed
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