SCHEMBL22235331

SCHEMBL22235331

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ACACB O00763 1/20 0.51
EPHX1 P07099 2/20 0.46
MME P08473 4/20 0.44
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL9293068 0.89 ESR1 (0.48) EPHX1ESR1ESR2
SCHEMBL4632775 0.84 ESR1 (0.42) KMT2AMEN1NPC1RAB9AACACB
SCHEMBL12939732 0.84 MEN1 (0.57) KMT2AMEN1NPC1RAB9AACACB
SCHEMBL21129085 0.84 MEN1 (0.57) KMT2AMEN1NPC1RAB9AACACB
SCHEMBL4597385 0.84 MEN1 (0.57) KMT2AMEN1NPC1RAB9AACACB
SCHEMBL30563831 0.82 KMT2A (0.51) KMT2AMEN1NPC1RAB9AACACB
SCHEMBL2720266 0.82 EPHX1 (0.57) KMT2AMEN1NPC1RAB9AACACB
SCHEMBL13643239 0.82 EPHX1 (0.57) KMT2AMEN1NPC1RAB9AACACB
SCHEMBL14499001 0.82 ACACB (0.50) KMT2AACACBESR1ESR2MAOB
SCHEMBL12459110 0.82 MME (0.53) KMT2AMEN1NPC1RAB9AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118791526-A Chiral aryl phosphine-oxazoline functionalized porous organic polymer and preparation and application thereof 浙江工业大学 2024-10-18 CN disclosed
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