SCHEMBL28537168

SCHEMBL28537168

CCCCCOC(=O)C(OC(=O)C1CCCCC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HTR1E P28566 1/20 0.46
S1PR3 Q99500 1/20 0.46
PPARG P37231 3/20 0.44
TSHR P16473 4/20 0.44
CYP3A4 P08684 3/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL28551213 0.99 LMNA (0.48) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL28549112 0.96 LMNA (0.47) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL28548063 0.91 ALDH1A1 (0.48) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL28539220 0.86 HPGD (0.51) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL28543976 0.81 LMNA (0.47) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL17780110 0.79 TSHR (0.46) LMNAALDH1A1TSHRCYP3A4CHRM2
SCHEMBL28277988 0.78 NPC1 (0.51) SMN1; SMN2LMNANPC1RAB9AALDH1A1
Cyclohexane SCHEMBL28537169 0.78 NPC1 (0.48) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL28555860 0.77 NPC1 (0.50) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL28279361 0.77 NPC1 (0.52) SMN1; SMN2LMNANPC1RAB9AALDH1A1

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-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN claimed