SCHEMBL14393389

SCHEMBL14393389

CCCc1ccc(C(=O)NC(C)(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.66
▸ GAA P10253 5/20 0.58
▸ POLB P06746 3/20 0.58
▸ CTDSP1 Q9GZU7 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ LMNA P02545 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MCOLN3 Q8TDD5 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ABCB1 P08183 1/20 0.51
▸ THRB P10828 1/20 0.50
▸ TRPV1 Q8NER1 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48

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
SCHEMBL678546 0.85 PLK1 (0.63) PLK1GAAPOLBALDH1A1LMNA
SCHEMBL23840710 0.84 ESRRG (0.50) PLK1LMNAHTTNPC1RAB9A
SCHEMBL17865779 0.82 LMNA (0.58) POLBLMNAHTT
SCHEMBL24534514 0.82 PLK1 (0.57) PLK1GAAPOLBCTDSP1ALDH1A1
SCHEMBL20017310 0.81 LMNA (0.55) POLBLMNAHTTNPC1RAB9A
SCHEMBL28577923 0.81 EPHX2 (0.58) PLK1POLBLMNAHTT
SCHEMBL507514 0.80 CA1 (0.50) PLK1POLBLMNAHTTKMT2A
SCHEMBL22328132 0.80 LMNA (0.50) PLK1POLBLMNAHTT
SCHEMBL506297 0.80 HDAC3 (0.61) PLK1LMNAHTTKMT2A
SCHEMBL13761402 0.80 LMNA (0.50) PLK1POLBLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 — — US disclosed
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