SCHEMBL22192202

SCHEMBL22192202

O=C(O)CCOc1ccc(NC(=O)c2ccc(OCCC(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
RAB9A P51151 5/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
TSHR P16473 1/20 0.58
MCL1 Q07820 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NPC1 O15118 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
KMT2A Q03164 5/20 0.57
CYP1A2 P05177 1/20 0.57
LMNA P02545 2/20 0.57
STAT3 P40763 1/20 0.57
TP53 P04637 2/20 0.56
PPARA Q07869 1/20 0.56
CHRNB2 P17787 2/20 0.56
CHRNB4 P30926 2/20 0.56
CHRNA3 P32297 2/20 0.56
CHRNA7 P36544 2/20 0.56
CHRNA4 P43681 2/20 0.56

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
SCHEMBL22192263 0.84 NPC1 (0.62) MAPTRAB9AALDH1A1KDM4ETSHR
SCHEMBL6929882 0.83 SMN1; SMN2 (0.64) MAPTRAB9AALDH1A1KDM4ETSHR
SCHEMBL7291792 0.83 NR1H4 (0.69) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL22192690 0.83 KMT2A (0.72) MAPTRAB9AALDH1A1KDM4ENPC1
SCHEMBL5180990 0.83 MAPT (0.64) MAPTRAB9AALDH1A1KDM4ETSHR
SCHEMBL22192224 0.83 MAPT (0.64) MAPTRAB9AALDH1A1KDM4ETSHR
SCHEMBL5591570 0.82 NR1H4 (0.60) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL22192236 0.82 NPC1 (0.68) MAPTRAB9AALDH1A1KDM4ETSHR
SCHEMBL22192246 0.82 SMN1; SMN2 (0.81) MAPTRAB9AALDH1A1KDM4ETSHR
SCHEMBL22192232 0.82 SMN1; SMN2 (0.62) MAPTRAB9AALDH1A1KDM4ETSHR

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