SCHEMBL28081040

SCHEMBL28081040

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRM1 P11229 1/20 0.40
HPGD P15428 2/20 0.39
P2RX4 Q99571 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28081042 0.91 ALDH1A1 (0.46) ALDH1A1TSHRCYP1A2CYP2D6PKM
SCHEMBL5278964 0.84 ALDH1A1 (0.49) ALDH1A1TSHRCYP1A2CYP2D6PKM
SCHEMBL2294572 0.84 ALDH1A1 (0.49) ALDH1A1TSHRCYP1A2CYP2D6PKM
SCHEMBL9773219 0.83 ALDH1A1 (0.47) ALDH1A1TSHRCYP1A2CYP2D6PKM
Methane SCHEMBL28312362 0.83 ALDH1A1 (0.47) ALDH1A1TSHRCYP1A2CYP2D6PKM
SCHEMBL9681180 0.82 ALDH1A1 (0.46) ALDH1A1TSHRCYP1A2CYP2D6PKM
SCHEMBL2290208 0.82 POLB (0.48) ALDH1A1TSHRCYP1A2CYP2D6PKM
SCHEMBL7288615 0.81 MMP8 (0.49) ALDH1A1TSHRCYP2D6SMN1; SMN2L3MBTL1
SCHEMBL2292812 0.81 KDM4E (0.54) ALDH1A1TSHRPKMHTTL3MBTL1
SCHEMBL3935787 0.79 PRSS1 (0.47) ALDH1A1TSHRSMN1; SMN2GPR88

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-103189396-B The manufacture method of solid catalyst component for olefin polymerization, polymerization of olefines catalyst and olefin polymer 东邦钛株式会社 2016-06-29 CN disclosed