SCHEMBL28816871

SCHEMBL28816871

CC(C)c1ccc(NC(=O)O)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
HDAC1 Q13547 1/20 0.43
RAB9A P51151 3/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MAPT P10636 3/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 2/20 0.40
KIF11 P52732 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL10620579 0.86 CA1 (0.54) MAPK1RAB9AMAPTRECQLNPC1
SCHEMBL4824928 0.83 HPGD (0.49) MAPK1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4826908 0.82 CYP1A2 (0.55) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL31645535 0.81 HPGD (0.43) MAPK1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL978071 0.79 NPC1 (0.61) HDAC1RAB9AMAPTNPC1KIF11
SCHEMBL21124470 0.79 CA1 (0.58) MAPK1RAB9ATAS1R3TAS1R1NPC1
SCHEMBL2090906 0.78 RAB9A (0.63) RAB9ATAS1R3TAS1R1MAPTNPC1
SCHEMBL3804097 0.77 CA1 (0.50) MAPK1RAB9ATAS1R3TAS1R1KDM4E
SCHEMBL11513778 0.76 EPHX1 (0.60) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL21124464 0.76 CA1 (0.43) MAPK1RAB9ANPC1LMNASMN1; SMN2

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
CN-104470357-A Storage aid comprising a plant protection agent and use thereof SE MA GES FUER INNOVATIONEN MBH 2015-03-25 CN disclosed