SCHEMBL28408015

SCHEMBL28408015

CCC(C)COC(=O)C1(C)CCCCC1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
CYP3A4 P08684 2/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL30142974 1.00 MAPT (0.35) MAPTSLC1A2SLC1A1CYP3A4ABCB11
SCHEMBL28408014 0.89 MAPT (0.32) MAPTCYP3A4ABCB11LMNACYP1A2
SCHEMBL27208664 0.83 F10 (0.41) MAPTCYP3A4ABCB11LMNACYP1A2
SCHEMBL27216297 0.78 CYP3A4 (0.37) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL30142941 0.77 SLC1A2 (0.36) SLC1A2SLC1A1LMNA
SCHEMBL28949432 0.77 SLC1A2 (0.36) SLC1A2SLC1A1LMNA
SCHEMBL11221438 0.77 CYP3A4 (0.32) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL249750 0.76 NR1H2 (0.36) MAPTSLC1A2SLC1A1LMNA
SCHEMBL27216262 0.76 NAAA (0.38) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL27216268 0.76 NAAA (0.38) CYP3A4ABCB11LMNACYP1A2CHRM2

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-111171195-B Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same 韩华道达尔能源有限公司 2022-12-27 CN disclosed
CN-111171195-A Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same 韩华道达尔有限公司 2020-05-19 CN disclosed