SCHEMBL28081042

SCHEMBL28081042

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.39
P2RX4 Q99571 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 1/20 0.38
GPR88 Q9GZN0 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
SCHEMBL28081040 0.91 ALDH1A1 (0.46) ALDH1A1TSHRHPGDP2RX4CYP1A2
SCHEMBL9773219 0.83 ALDH1A1 (0.47) ALDH1A1TSHRHPGDP2RX4CYP1A2
SCHEMBL9681180 0.82 ALDH1A1 (0.46) ALDH1A1TSHRHPGDP2RX4CYP1A2
SCHEMBL5278964 0.78 ALDH1A1 (0.49) ALDH1A1TSHRMAPTHPGDP2RX4
SCHEMBL30136433 0.77 TSHR (0.48) ALDH1A1TSHRHPGDSMN1; SMN2GAA
SCHEMBL2559613 0.77 CYP2C19 (0.42) ALDH1A1CYP2C19MAPTCYP1A2CYP2D6
Methane SCHEMBL28312362 0.77 ALDH1A1 (0.47) ALDH1A1TSHRMAPTHPGDP2RX4
SCHEMBL1716620 0.77 POLB (0.53) CYP2C19CYP2D6SMN1; SMN2GAAHTT
SCHEMBL6154764 0.76 ALDH1A1 (0.41) ALDH1A1TSHRHPGDGPR88
SCHEMBL18116284 0.75 CYP2C19 (0.50) ALDH1A1CYP2C19CYP2D6SMN1; SMN2

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