SCHEMBL9010787

SCHEMBL9010787

C#CC(C)(C)NC(=O)c1ccco1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
PKM P14618 2/20 0.45

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
SCHEMBL581489 0.81 MEN1 (0.68) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL23801091 0.75 MEN1 (0.60) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL755125 0.75 MEN1 (0.60) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL18094478 0.74 MEN1 (0.58) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL16364129 0.73 ALDH1A1 (0.62) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL4941829 0.73 NPC1 (0.64) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL9010888 0.72 MEN1 (0.56) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL13015261 0.72 MEN1 (0.56) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL8174177 0.71 SMN1; SMN2 (0.57) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL10053368 0.71 MEN1 (0.55) MEN1KMT2ALMNAPOLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547984-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1996-08-20 US disclosed
US-5529978-A FUNGICIDE ROHM AND HAAS COMPANY (US) 1996-06-25 US disclosed
US-5344978-A Fungicides ROHM AND HAAS COMPANY (US) 1994-09-06 US disclosed
US-5196046-A N-acetonyl-substituted-amides ROHM AND HAAS COMPANY (US) 1993-03-23 US disclosed
EP-0170498-B1 N-ACETONYL-SUBSTITUTED-AMIDES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN COMBATING FUNGI ROHM AND HAAS COMPANY (US) 1991-09-11 EP disclosed
US-4863940-A N-acetonyl-substituted amides and phytopathogenic fungicidal use thereof ROHM AND HAAS (US) 1989-09-05 US disclosed
EP-0170498-A2 N-acetonyl-substituted-amides, compositions containing them and their use in combating fungi ROHM AND HAAS COMPANY (US) 1986-02-05 EP disclosed