SCHEMBL28292744

SCHEMBL28292744

CC(C)(C)OOC(C)(C)c1ccccc1.CCOOOC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
TAAR1 Q96RJ0 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNN4 O15554 1/20 0.32
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NPY2R P49146 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
POLB P06746 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
SCHEMBL28292741 0.89 MAPK1 (0.63) MAPK1ALDH1A1ALOX15TAAR1TSHR
Propane SCHEMBL481585 0.85 MAPK1 (0.74) MAPK1ALDH1A1ALOX15TAAR1TSHR
SCHEMBL20578229 0.83 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TAAR1TSHR
SCHEMBL1833534 0.83 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TAAR1TSHR
SCHEMBL29058028 0.83 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TAAR1TSHR
SCHEMBL22352 0.83 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TAAR1TSHR
SCHEMBL28682767 0.81 MAPK1 (0.67) MAPK1ALDH1A1ALOX15TAAR1KCNN4
Hexane SCHEMBL8712560 0.80 MAPK1 (0.65) MAPK1ALDH1A1ALOX15TAAR1TSHR
SCHEMBL28540461 0.79 MAPK1 (0.70) MAPK1ALDH1A1ALOX15TAAR1TSHR
Propane SCHEMBL481265 0.79 MAPK1 (0.85) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110536926-A Method for preparing a heterophasic polymer composition MILLIKEN & CO 2019-12-03 CN disclosed
CN-107531936-B Thermoplastic polymer composition 美利肯公司 2019-05-14 CN disclosed