SCHEMBL28292741

SCHEMBL28292741

CC(C)(C)OOC(C)(C)c1ccccc1.CCOOC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.63
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
TAAR1 Q96RJ0 1/20 0.35
KCNN4 O15554 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
POLB P06746 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
CYP3A4 P08684 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL28292744 0.89 MAPK1 (0.59) MAPK1ALDH1A1ALOX15TAAR1KCNN4
Propane SCHEMBL481585 0.88 MAPK1 (0.74) MAPK1ALDH1A1ALOX15TAAR1KCNN4
SCHEMBL28682767 0.88 MAPK1 (0.67) MAPK1ALDH1A1ALOX15TAAR1KCNN4
SCHEMBL29058028 0.86 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TAAR1KCNN4
SCHEMBL1833534 0.86 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TAAR1KCNN4
SCHEMBL20578229 0.86 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TAAR1KCNN4
SCHEMBL22352 0.86 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TAAR1KCNN4
Hexane SCHEMBL8712560 0.83 MAPK1 (0.65) MAPK1ALDH1A1ALOX15TAAR1KCNN4
Propane SCHEMBL481265 0.82 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TAAR1KCNN4
SCHEMBL8527814 0.81 MAPK1 (0.63) MAPK1ALDH1A1ALOX15TAAR1KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531936-B Thermoplastic polymer composition 美利肯公司 2019-05-14 CN disclosed