SCHEMBL28367461

SCHEMBL28367461

CCCCCOC(=O)c1cc(C)c(C)cc1C(=O)OCCCCC

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
TP53 P04637 1/20 0.66
CYP3A4 P08684 1/20 0.66
MAPK1 P28482 1/20 0.66
ALDH1A1 P00352 2/20 0.64
LMNA P02545 1/20 0.64
ESR1 P03372 4/20 0.61
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
HSD17B10 Q99714 1/20 0.55
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54

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
SCHEMBL29404235 1.00 TSHR (0.66) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL4627375 0.94 TSHR (0.65) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL28994399 0.92 TSHR (0.59) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL4627305 0.91 TSHR (0.61) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL20695608 0.90 TSHR (0.72) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL20695609 0.89 TSHR (0.73) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL20695622 0.89 TSHR (0.73) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL19348915 0.89 TSHR (0.73) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL20695635 0.89 TSHR (0.73) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL9799473 0.89 TSHR (0.73) TSHRTP53CYP3A4MAPK1ALDH1A1

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-110799549-B Process for producing solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for propylene polymerization 东邦钛株式会社 2022-03-15 CN disclosed
CN-110799549-A Process for producing solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for propylene polymerization 东邦钛株式会社 2020-02-14 CN disclosed