SCHEMBL3660141

SCHEMBL3660141

CC(C)(C)NC(C=O)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.45
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
BRAF P15056 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 1/20 0.40
HSD17B10 Q99714 1/20 0.39
FFAR2 O15552 5/20 0.39
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
HIF1A Q16665 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36

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
Hydrochloric Acid SCHEMBL6473378 0.80 ESR1 (0.38) HSD17B10TSHRHIF1ATDP1LMNA
SCHEMBL14847516 0.73 TRPA1 (0.45) FFAR2TSHRLMNAHPGDALDH1A1
SCHEMBL15952332 0.73 TRPA1 (0.45) FFAR2TSHRLMNAHPGDALDH1A1
SCHEMBL13036602 0.72 AKT1 (0.50) AKT1PRKD3PRKCGPRKCBBRAF
SCHEMBL10058171 0.72 AKT1 (0.50) AKT1PRKD3PRKCGPRKCBBRAF
SCHEMBL12798108 0.72 AKT1 (0.50) AKT1PRKD3PRKCGPRKCBBRAF
SCHEMBL11112508 0.71 FFAR2 (0.42) AKT1HSD17B10FFAR2TSHRMAPK1
SCHEMBL15951835 0.70 HDAC4 (0.43) FFAR2TSHRLMNAHPGDBRD4
SCHEMBL13900835 0.68 AKT1 (0.63) AKT1PRKD3PRKCGPRKCBBRAF
SCHEMBL96817 0.67 ADRB2 (0.50) HSD17B10FFAR2TSHRMAPK1HIF1A

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
EP-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed