SCHEMBL22236136

SCHEMBL22236136

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
MME P08473 6/20 0.46
EPHX1 P07099 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL763623 0.85 MME (0.49) ACACBMMEEPHX1KMT2AMEN1
SCHEMBL1699496 0.85 MME (0.49) ACACBMMEEPHX1KMT2AMEN1
SCHEMBL13643095 0.85 MME (0.49) ACACBMMEEPHX1KMT2AMEN1
SCHEMBL1697565 0.84 EPHX1 (0.50) ACACBMMEEPHX1KMT2AMEN1
SCHEMBL1696260 0.83 ESR1 (0.53)
SCHEMBL24591934 0.82 MME (0.47) ACACBMMEEPHX1KMT2AMEN1
SCHEMBL15134806 0.81 NPC1 (0.43) EPHX1NPC1RAB9AALDH1A1
SCHEMBL16691549 0.81 ALPI (0.52) NPC1RAB9AALDH1A1
SCHEMBL10835297 0.81 ALPI (0.52) NPC1RAB9AALDH1A1
SCHEMBL3654051 0.77 L3MBTL1 (0.45) ACACBALDH1A1

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
EP-3911643-A1 ANTIMICROBIAL COMPOUNDS AND METHODS Curza Global LLC (US) 2021-11-24 EP disclosed
WO-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed