SCHEMBL14284660

SCHEMBL14284660

CC(C)(C)C1CCC(NC(=O)c2cnccc2O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.49
▸ ANO1 Q5XXA6 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ CYP46A1 Q9Y6A2 1/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ USP36 Q9P275 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LCK P06239 1/20 0.38

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
SCHEMBL12384673 0.79 MAPT (0.57) HPGDSNPC1RAB9AALDH1A1KDM4E
SCHEMBL6055005 0.77 ALDH1A1 (0.64) HPGDSRAB9AALDH1A1HTTMAPT
SCHEMBL13162007 0.76 SIRT3 (0.53) HPGDSNPC1RAB9AALDH1A1HTT
SCHEMBL14284656 0.75 KDM4E (0.44) NPC1RAB9AALDH1A1HTTKDM4E
SCHEMBL15651270 0.73 SMYD3 (0.49) HPGDSALDH1A1HTTKDM4EMAPT
SCHEMBL3115088 0.73 RAB9A (0.49) ANO1NPC1RAB9AALDH1A1KDM4E
SCHEMBL3108907 0.73 RAB9A (0.49) ANO1NPC1RAB9AALDH1A1KDM4E
SCHEMBL3108915 0.73 RAB9A (0.49) ANO1NPC1RAB9AALDH1A1KDM4E
SCHEMBL14082500 0.73 CYP46A1 (0.57) HPGDSNPC1RAB9AALDH1A1CYP46A1
SCHEMBL3122776 0.72 RAB9A (0.43) HPGDSRAB9AALDH1A1KDM4EMAPT

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
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 — — US disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 — — US disclosed
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