SCHEMBL25454926

SCHEMBL25454926

CC(C)(C)N[C@@H](Cc1ccc(N)cc1)C(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MME P08473 2/20 0.38
▸ SOAT1 P35610 1/20 0.38
▸ ESRRG P62508 1/20 0.38
▸ ACE P12821 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ ITGB1 P05556 1/20 0.35
▸ ITGA5 P08648 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35
▸ CYP24A1 Q07973 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ PPIB P23284 1/20 0.35
▸ PPIA P62937 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
SCHEMBL685444 1.00 CA2 (0.39) CA2EPHX2RAB9ANPC1MME
SCHEMBL23974737 0.88 LOXL2 (0.40) MMEACEACE2ITGB1MAPT
SCHEMBL18995791 0.88 LOXL2 (0.40) MMEACEACE2ITGB1MAPT
SCHEMBL12250719 0.86 ESR1 (0.46) MMEACEACE2MAPTLNPEP
SCHEMBL26417010 0.86 ATM (0.43) RAB9ANPC1MMEACEACE2
SCHEMBL12250708 0.86 ESR1 (0.46) MMEACEACE2MAPTLNPEP
SCHEMBL13630710 0.86 ESR1 (0.46) MMEACEACE2MAPTLNPEP
SCHEMBL10061085 0.86 ATM (0.43) RAB9ANPC1MMEACEACE2
SCHEMBL12250692 0.86 ATM (0.43) RAB9ANPC1MMEACEACE2
SCHEMBL23065772 0.84 HDAC1 (0.45) RAB9ANPC1MME

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230152316-A1 SARS-COV2 SPIKE PROTEIN BINDING PEPTIDES MASSACHUSETTS INST TECHNOLOGY (US) 2023-05-18 — — US disclosed
US-20230152316-A1 SARS-COV2 SPIKE PROTEIN BINDING PEPTIDES MASSACHUSETTS INST TECHNOLOGY (US) 2023-05-18 — — US disclosed
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