SCHEMBL22192246

SCHEMBL22192246

CCCCOc1ccc(NC(=O)c2ccc(OCCCC)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.81
LMNA P02545 2/20 0.81
STAT3 P40763 1/20 0.81
MAPT P10636 8/20 0.76
KDM4E B2RXH2 5/20 0.72
RAB9A P51151 4/20 0.72
ALDH1A1 P00352 3/20 0.72
HSD17B10 Q99714 3/20 0.72
TSHR P16473 2/20 0.72
MCL1 Q07820 1/20 0.72
HPGD P15428 2/20 0.70
TAAR1 Q96RJ0 1/20 0.70
NR1H4 Q96RI1 2/20 0.68
NPC1 O15118 4/20 0.68
CYP1A2 P05177 1/20 0.68
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
HIF1A Q16665 1/20 0.67
TP53 P04637 3/20 0.66
HTT P42858 1/20 0.62

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
SCHEMBL22722604 0.94 NPC1 (0.78) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL8361570 0.94 SMN1; SMN2 (0.72) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL10876762 0.94 SMN1; SMN2 (0.72) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL4257510 0.92 NR1H4 (0.76) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL8363731 0.91 SMN1; SMN2 (0.69) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL2832501 0.90 SMN1; SMN2 (0.67) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL8757069 0.90 SMN1; SMN2 (0.67) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL8390958 0.90 SMN1; SMN2 (0.67) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL8363016 0.90 SMN1; SMN2 (0.67) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL8390939 0.90 SMN1; SMN2 (0.67) SMN1; SMN2LMNASTAT3MAPTKDM4E

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-10703911-B2 Organic colorant, coloring composition, and inkjet ink RICOH COMPANY, LTD. (JP) 2020-07-07 US disclosed