SCHEMBL22192244

SCHEMBL22192244

CCOC(=O)COc1ccc(NC(=O)c2ccc(OCCO)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
POLB P06746 4/20 0.57
LMNA P02545 3/20 0.57
NPC1 O15118 6/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.55
RAB9A P51151 5/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.54
MCL1 Q07820 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CXCR1 P25024 1/20 0.54
CXCR2 P25025 1/20 0.54
STAT3 P40763 1/20 0.53
XDH P47989 2/20 0.53
KMT2A Q03164 1/20 0.52
MCHR1 Q99705 1/20 0.52
EPHX2 P34913 1/20 0.50

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
SCHEMBL22192691 0.92 NPC1 (0.65) MAPTPOLBLMNANPC1KDM4E
SCHEMBL22192245 0.90 NPC1 (0.60) MAPTPOLBLMNANPC1KDM4E
SCHEMBL22192234 0.90 NPC1 (0.59) MAPTPOLBLMNANPC1KDM4E
SCHEMBL22192694 0.86 CXCR1 (0.53) MAPTPOLBLMNANPC1KDM4E
SCHEMBL5180990 0.85 MAPT (0.64) MAPTPOLBLMNANPC1KDM4E
SCHEMBL22192224 0.85 MAPT (0.64) MAPTPOLBLMNANPC1KDM4E
SCHEMBL7301532 0.85 MAPT (0.70) MAPTPOLBLMNANPC1KDM4E
SCHEMBL22192228 0.84 NPC1 (0.62) MAPTPOLBLMNANPC1KDM4E
SCHEMBL8770602 0.81 GAA (0.64) MAPTPOLBLMNANPC1KDM4E
SCHEMBL22192247 0.80 KMT2A (0.56) MAPTLMNANPC1KDM4EALDH1A1

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