SCHEMBL11272159

SCHEMBL11272159

CCC(C)(COC(=O)OOC(=O)OCC(C)(CC)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.49
HIF1A Q16665 2/20 0.49
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CHRM2 P08172 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 1/20 0.40
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 2/20 0.38
HTR1A P08908 1/20 0.37
SCN1A P35498 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL11266149 0.81 HIF1A (0.44) CYP2C19HIF1AMAPTALDH1A1CHRM2
SCHEMBL8034194 0.78 HIF1A (0.59) CYP2C19HIF1AMAPTALDH1A1CHRM2
SCHEMBL6823582 0.77 CYP2C19 (0.49) CYP2C19HIF1AALDH1A1CHRM3CYP2D6
SCHEMBL7057674 0.76 MAPK1 (0.47) CYP2C19HIF1AMAPTALDH1A1CHRM2
SCHEMBL25338001 0.75 CYP2C19 (0.44) CYP2C19HIF1AMAPTALDH1A1CHRM2
SCHEMBL7055626 0.75 MAPK1 (0.46) CYP2C19HIF1AMAPTALDH1A1CHRM2
SCHEMBL599044 0.73 CYP2C19 (0.54) CYP2C19HIF1AMAPTALDH1A1KMT2A
SCHEMBL10808021 0.73 CYP2C19 (0.54) CYP2C19HIF1AMAPTALDH1A1KMT2A
SCHEMBL25337119 0.73 ALDH1A1 (0.45) CYP2C19HIF1AALDH1A1KMT2AMEN1
SCHEMBL3742631 0.73 CYP2C19 (0.81) CYP2C19HIF1AMAPTALDH1A1CHRM2

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
US-4361688-A CATALYSTS FOR ADDITION POLYMERIZATION ARGUS CHEMICAL CORPORATION (US) 1982-11-30 US claimed
US-4285877-A SOLID FREE RADICAL CATALYSTS; STORAGE STABILITY ARGUS CHEMICAL CORPORATION (US) 1981-08-25 US claimed