SCHEMBL1167513

SCHEMBL1167513

COc1ccccc1NC(=O)C1CCCCC1C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.65
TSHR P16473 3/20 0.64
ALOX15 P16050 1/20 0.64
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL14503304 0.79 SMN1; SMN2 (1.00) SMN1; SMN2TSHRALOX15KMT2ANPSR1
SCHEMBL27339399 0.77 SMN1; SMN2 (0.85) SMN1; SMN2TSHRALOX15KMT2ANPSR1
SCHEMBL10839081 0.74 SMN1; SMN2 (0.59) SMN1; SMN2TSHRALOX15KMT2AKDM4E
SCHEMBL1167505 0.73 HPGD (0.54) SMN1; SMN2
SCHEMBL2752062 0.72 TAS1R3 (0.71) SMN1; SMN2TSHRALOX15TAS1R3TAS1R1
SCHEMBL21059267 0.72 SMN1; SMN2 (0.68) SMN1; SMN2TSHRALOX15TAS1R3TAS1R1
SCHEMBL19476103 0.72 SMN1; SMN2 (0.63) SMN1; SMN2TSHRALOX15TAS1R3TAS1R1
SCHEMBL1030263 0.72 LMNA (0.74) SMN1; SMN2KMT2AMEN1KDM4ELMNA
SCHEMBL8079340 0.72 SMN1; SMN2 (0.62) SMN1; SMN2TSHRALOX15KMT2AMEN1
SCHEMBL20365400 0.71 KMT2A (0.72) SMN1; SMN2TAS1R3TAS1R1KMT2ANPSR1

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-7893110-B2 e.g. 1-methyl-cyclohexanecarboxylic acid (3-methoxy-phenyl)-amide; topical products, oral care products, nasal care products, toilet articles, ingestible products and chewing gum GIVAUDAN S.A. (CH) 2011-02-22 US disclosed