SCHEMBL28176208

SCHEMBL28176208

CC(C)(C)OOC(=O)c1ccccc1.CC(CC(=O)O)CC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
TSHR P16473 2/20 0.65
HSD17B10 Q99714 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
LMNA P02545 2/20 0.42
F2 P00734 1/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3630744 0.88 TDP1 (0.60) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL6398395 0.83 TDP1 (0.52) ALDH1A1TSHRHSD17B10TDP1LMNA
Isopropyl Alcohol SCHEMBL28991515 0.81 TDP1 (0.86) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL22820 0.81 TSHR (1.00) ALDH1A1TSHRHSD17B10TDP1LMNA
Benzene SCHEMBL9464161 0.81 TSHR (1.00) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL9183136 0.81 TSHR (1.00) ALDH1A1TSHRHSD17B10TDP1LMNA
Hydrogen Peroxide SCHEMBL29071816 0.81 TSHR (1.00) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL1832855 0.79 PGD (0.33) ALDH1A1TSHRTDP1CYP1A2MAPT
SCHEMBL11143628 0.79 TDP1 (0.96) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL28771784 0.79 TDP1 (0.96) ALDH1A1TSHRHSD17B10TDP1LMNA

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
CN-107118311-A A kind of epoxy modified acrylic resin and preparation method thereof 华伦纳路新材料有限公司 2017-09-01 CN disclosed
CN-105418833-A Acrylic resin used for high-solid-content stoving varnish and preparation method thereof JIANGMEN PAINT FACTORY CO LTD 2016-03-23 CN disclosed