SCHEMBL9394669

SCHEMBL9394669

CC(C)(NC(=O)[C@H](Br)C(C)(C)C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.60
▸ MMP2 P08253 4/20 0.46
▸ ADAMTS4 O75173 1/20 0.45
▸ ADAMTS5 Q9UNA0 1/20 0.45
▸ SSTR4 P31391 1/20 0.44
▸ MMP3 P08254 1/20 0.43
▸ HDAC3 O15379 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 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
SCHEMBL4452487 1.00 CYP3A4 (0.60) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
SCHEMBL54044 1.00 CYP3A4 (0.60) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
SCHEMBL11328600 0.85 MMP2 (0.45) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
Benzofuran SCHEMBL5614200 0.84 CYP3A4 (0.49) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
SCHEMBL11317507 0.84 CYP3A4 (0.44) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
SCHEMBL11314461 0.81 MMP2 (0.47) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
SCHEMBL10311721 0.80 ADAMTS4 (0.48) MMP2ADAMTS4ADAMTS5SSTR4MMP3
SCHEMBL11326660 0.79 MMP2 (0.46) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
SCHEMBL11303236 0.79 CYP3A4 (0.52) CYP3A4MMP2KMT2A
SCHEMBL12310940 0.78 MMP2 (0.45) MMP2ADAMTS4ADAMTS5SSTR4MMP3

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
JP-6145012-A — — None — — JP disclosed
JP-H06145012-A HERBICIDE CONTAINING OXAZOLONE DERIVATIVE, BROMOBUTIDE AND THE LIKE SANKYO CO LTD 1994-05-24 — — JP disclosed
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