SCHEMBL6078071

SCHEMBL6078071

CCCCOCCCNC(=O)NCc1cccs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
TSHR P16473 4/20 0.71
LMNA P02545 1/20 0.53
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 3/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.49
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
RECQL P46063 1/20 0.47
NR1I3 Q14994 1/20 0.46

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
SCHEMBL6076056 0.91 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMAPTRAB9A
SCHEMBL6077207 0.82 LMNA (0.53) ALDH1A1TSHRLMNAMAPTRAB9A
SCHEMBL6076622 0.80 LMNA (0.70) ALDH1A1TSHRLMNAMAPTRAB9A
SCHEMBL14142610 0.78 LMNA (0.80) ALDH1A1TSHRLMNAMAPTRAB9A
SCHEMBL6077347 0.78 LMNA (0.55) ALDH1A1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL6077138 0.78 LMNA (0.65) ALDH1A1TSHRLMNAMAPTRAB9A
SCHEMBL14493689 0.77 EPHX1 (0.61) ALDH1A1TSHRMAPTSMN1; SMN2HSD17B10
SCHEMBL6078444 0.74 LMNA (0.60) ALDH1A1TSHRLMNAMAPTRAB9A
SCHEMBL23012627 0.74 LMNA (0.56) ALDH1A1TSHRLMNAMAPTRAB9A
SCHEMBL27322979 0.74 LMNA (0.68) ALDH1A1TSHRLMNAMAPTRAB9A

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-7098247-B2 Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US disclosed