SCHEMBL3688349

SCHEMBL3688349

CC(C)(C)CC(C)(OO)c1ccccc1.CC(C)(C)OOC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
POLB P06746 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 2/20 0.33
SHBG P04278 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNN4 O15554 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL1421191 0.93 ALDH1A1 (0.54) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL9577561 0.92 ALDH1A1 (0.41) ALDH1A1ALOX15MAPK1TSHRHSD17B10
SCHEMBL11046936 0.91 ALDH1A1 (0.43) ALDH1A1ALOX15MAPK1TSHRHSD17B10
SCHEMBL7606018 0.88 MAPK1 (0.59) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL7628903 0.87 MAPK1 (0.45) ALDH1A1ALOX15MAPK1TSHRHSD17B10
Hexane SCHEMBL8712556 0.84 ALDH1A1 (0.46) ALDH1A1ALOX15MAPK1TSHRCYP2C19
SCHEMBL8388174 0.84 ALDH1A1 (0.37) ALDH1A1ALOX15MAPK1
SCHEMBL22351 0.81 MAPK1 (0.50) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL28400216 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15MAPK1HSD17B10CYP2C19
SCHEMBL6517905 0.79 ALDH1A1 (0.42) ALDH1A1ALOX15MAPK1CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652105-B2 Method for producing hydroxyl-modified ethylene-α-olefin copolymer NOF CORPORATION (JP) 2010-01-26 US disclosed
EP-1577325-B1 METHOD FOR PRODUCING HYDROXYL-MODIFIED ETHYLENE-ALPHA-OLEFIN COPOLYMER NOF CORP (JP) 2009-11-11 EP disclosed
US-20060025537-A1 Method for producing hydroxyl-modified ethylene-alpha-olefin copolymer NOF CORPORATION (JP) 2006-02-02 US disclosed
EP-1577325-A1 METHOD FOR PRODUCING HYDROXYL-MODIFIED ETHYLENE-ALPHA-OLEFIN COPOLYMER NOF CORPORATION (JP) 2005-09-21 EP disclosed
US-5721288-A FOR UNSATURATED COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 1998-02-24 US disclosed