SCHEMBL27869791

SCHEMBL27869791

CC(C)(C)c1ccc(C[C@H]2C[C@@H](c3cc(=O)[nH]o3)CCN2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 13/20 0.44
▸ TACR1 P25103 5/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL586860 1.00 PLG (0.44) PLGTACR1GABRA1GABRG2GABRB3
SCHEMBL27869832 1.00 PLG (0.44) PLGTACR1GABRA1GABRG2GABRB3
SCHEMBL581927 0.91 PLG (0.44) PLGTACR1GABRA1GABRG2GABRB3
SCHEMBL581123 0.90 PLG (0.45) PLGTACR1
SCHEMBL587277 0.90 PLG (0.41) PLGTACR1NPC1RAB9A
SCHEMBL581973 0.90 PLG (0.41) PLGTACR1NPC1RAB9A
SCHEMBL581234 0.90 PLG (0.41) PLGTACR1NPC1RAB9A
SCHEMBL580880 0.90 PLG (0.41) PLGTACR1NPC1RAB9A
SCHEMBL581599 0.88 PLG (0.57) PLGTACR1GABRA1GABRG2GABRB3
SCHEMBL583170 0.87 PLG (0.47) PLGTACR1GABRA1GABRG2GABRB3

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
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 — — CN disclosed
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 — — CN disclosed
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