SCHEMBL16784223

SCHEMBL16784223

O=Cc1ccc2c(c1)OCCCOCCOCCCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
HSD17B10 Q99714 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
BLM P54132 1/20 0.44
GAA P10253 2/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL16784218 0.98 ALDH1A1 (0.65) ALDH1A1HSD17B10TDP1KDM4EMAPT
SCHEMBL16784219 0.97 ALDH1A1 (0.62) ALDH1A1HSD17B10TDP1KDM4EMAPT
SCHEMBL16559899 0.97 ALDH1A1 (0.62) ALDH1A1HSD17B10TDP1KDM4EMAPT
SCHEMBL565587 0.93 ALDH1A1 (0.71) ALDH1A1HSD17B10TDP1KDM4EMAPT
SCHEMBL14787821 0.91 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1KDM4EMAPT
SCHEMBL14777264 0.91 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1KDM4EMAPT
SCHEMBL16784222 0.91 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1KDM4EMAPT
SCHEMBL14777332 0.91 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1KDM4EMAPT
SCHEMBL16784221 0.91 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1KDM4EMAPT
SCHEMBL30523585 0.91 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1KDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988466-B2 Benzocrown ether graft polymer with lithium isotopic separation effect and preparation method thereof TIANJIN POLYTECHNIC UNIVERSITY (CN) 2018-06-05 US disclosed
US-20150152201-A1 BENZOCROWN ETHER GRAFT POLYMER WITH LITHIUM ISOTOPIC SEPARATION EFFECT AND PREPARATION METHOD THEREOF TIANJIN POLYTECHNIC UNIVERSITY (CN) 2015-06-04 US disclosed