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SCHEMBL29548635

SCHEMBL29548635

CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.45
▸ MCL1 Q07820 11/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ AGTR2 P50052 1/20 0.43
▸ USP30 Q70CQ3 2/20 0.41
▸ NR1H2 P55055 2/20 0.41
▸ HTRA1 Q92743 1/20 0.39

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
SCHEMBL4388576 0.93 AGTR2 (0.48) ACEMCL1KMT2AAGTR2NR1H2
SCHEMBL29548835 0.92 CYP3A4 (0.46) MCL1MEN1RAB9AKMT2AUSP30
SCHEMBL29548632 0.90 BCHE (0.42) USP30NR1H2
SCHEMBL29548707 0.86 NR1H2 (0.42) AGTR2NR1H2
SCHEMBL24538202 0.85 MMP2 (0.47) MCL1KMT2AAGTR2NR1H2HTRA1
SCHEMBL12166250 0.85 MMP2 (0.47) MCL1KMT2AAGTR2NR1H2HTRA1
SCHEMBL2824741 0.85 MMP2 (0.47) MCL1KMT2AAGTR2NR1H2HTRA1
SCHEMBL13841901 0.85 MMP2 (0.47) MCL1KMT2AAGTR2NR1H2HTRA1
SCHEMBL13548957 0.82 CARM1 (0.47) AGTR2USP30NR1H2
SCHEMBL8254788 0.82 CARM1 (0.47) AGTR2USP30NR1H2

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-2022087630-A1 INHIBITORS OF AMINO ACID TRANSPORT ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 — — WO disclosed