SCHEMBL5310805

SCHEMBL5310805

Nc1cccc(C(=O)OCCCCCCOC(=O)c2cccc(N)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
PDE4D Q08499 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PBRM1 Q86U86 1/20 0.49
KDM4E B2RXH2 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
SCHEMBL1928911 1.00 TDP1 (0.59) TDP1ALDH1A1NPC1MAPTRAB9A
SCHEMBL1804032 0.98 TDP1 (0.61) TDP1ALDH1A1NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL9751464 0.97 TDP1 (0.59) TDP1ALDH1A1NPC1MAPTRAB9A
SCHEMBL1795012 0.95 TDP1 (0.56) TDP1ALDH1A1NPC1MAPTRAB9A
SCHEMBL11095701 0.92 ALDH1A1 (0.68) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL6332448 0.92 ALDH1A1 (0.68) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL6330049 0.92 ALDH1A1 (0.68) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL28281243 0.92 ALDH1A1 (0.68) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL8034119 0.92 ALDH1A1 (0.68) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL6330078 0.92 ALDH1A1 (0.68) ALDH1A1NPC1MAPTRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312177-B2 Thermosensitive recording materials OJI PAPER CO., LTD. (JP) 2007-12-25 US disclosed
EP-1512545-B1 Thermosensitive recording materials OJI PAPER CO (JP) 2007-11-07 EP disclosed
US-20050054528-A1 Thermosensitive recording materials OJI PAPER CO., LTD. (JP) 2005-03-10 US disclosed
EP-1512545-A1 Thermosensitive recording materials Oji Paper Co., Ltd. (JP) 2005-03-09 EP disclosed