SCHEMBL16784221

SCHEMBL16784221

O=Cc1ccc2c(c1)OCCOCCOCCO2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
HSD17B10 Q99714 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
MAPT P10636 6/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
BLM P54132 1/20 0.53
KDM4E B2RXH2 5/20 0.53
GAA P10253 1/20 0.52
DYRK1A Q13627 1/20 0.50
DYRK2 Q92630 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GSK3B P49841 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL14777264 1.00 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1MAPTLMNA
SCHEMBL30523585 1.00 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1MAPTLMNA
SCHEMBL1247490 1.00 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1MAPTLMNA
SCHEMBL14777332 1.00 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1MAPTLMNA
SCHEMBL16784222 1.00 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1MAPTLMNA
SCHEMBL14787821 1.00 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1MAPTLMNA
SCHEMBL16559899 0.95 ALDH1A1 (0.62) ALDH1A1HSD17B10TDP1MAPTLMNA
SCHEMBL16784219 0.95 ALDH1A1 (0.62) ALDH1A1HSD17B10TDP1MAPTLMNA
SCHEMBL210494 0.94 ALDH1A1 (0.77) ALDH1A1HSD17B10TDP1MAPTLMNA
SCHEMBL30576999 0.94 ALDH1A1 (0.77) ALDH1A1HSD17B10TDP1MAPTLMNA

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