SCHEMBL6897902

SCHEMBL6897902

Cc1cc(OC(=O)CCC(C)(C)C)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
ESR1 P03372 4/20 0.40
NR1H4 Q96RI1 3/20 0.39
ACHE P22303 1/20 0.39
AR P10275 2/20 0.39
ESR2 Q92731 2/20 0.39
TP53 P04637 1/20 0.39
ATM Q13315 2/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL6130581 0.87 NR1H4 (0.53) L3MBTL1ALDH1A1MAPTKMT2ALMNA
SCHEMBL852758 0.87 NR1H4 (0.53) L3MBTL1ALDH1A1MAPTKMT2ALMNA
SCHEMBL29268227 0.83 ALDH1A1 (0.56) TDP1L3MBTL1NPC1ALDH1A1MAPT
SCHEMBL27667468 0.83 KMT2A (0.47) TDP1L3MBTL1NPC1ALDH1A1MAPT
SCHEMBL9807333 0.80 KMT2A (0.47) TDP1L3MBTL1NPC1ALDH1A1MAPT
SCHEMBL416481 0.80 TDP1 (0.43) TDP1L3MBTL1NPC1ALDH1A1MAPT
SCHEMBL8678592 0.79 KMT2A (0.52) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL2813313 0.79 ACHE (0.59) TDP1L3MBTL1NPC1ALDH1A1KMT2A
SCHEMBL13240429 0.79 KMT2A (0.55) TDP1L3MBTL1NPC1ALDH1A1MAPT
SCHEMBL29232710 0.79 APP (0.48) TDP1L3MBTL1NPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905180-B1 Dust free stabiliser granules containing epoxide and process of their preparation CIBA SC HOLDING AG (CH) 2003-05-21 EP claimed
US-6740709-B2 HAVING BALANCED WELDING PROPERTIES, FLEXIBILITY, AND SHOCK IMPACT RESISTANCE; FOR ENGINEERING PLASTICS AND FOR ELECTRIC AND ELECTRONIC PARTS, MECHANICAL PARTS, AND AUTOMOBILE PARTS TOYODA GOSEI CO., LTD. (JP) 2004-05-25 US disclosed
US-20020169237-A1 Resin molding TORAY INDUSTRIES, INC. (JP) 2002-11-14 US disclosed