SCHEMBL28286148

SCHEMBL28286148

CCCCCC(CC)C(CC(=O)OCC)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
GPR84 Q9NQS5 4/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ATM Q13315 1/20 0.35
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL28139049 0.95 CA2 (0.40) TSHRALDH1A1CYP3A4TDP1KMT2A
SCHEMBL28139004 0.89 ALDH1A1 (0.35) TSHRALDH1A1CYP3A4TDP1KMT2A
SCHEMBL28139614 0.88 MGAM (0.39) TSHRALDH1A1CYP3A4TDP1KMT2A
SCHEMBL28226690 0.86 BIRC2 (0.37) ZDHHC7TSHRALDH1A1CYP3A4TDP1
SCHEMBL28262579 0.85 BIRC2 (0.36) ZDHHC7KMT2AGPR84
SCHEMBL1769475 0.85 CA2 (0.42) ZDHHC7TSHRCYP3A4TDP1GPR84
SCHEMBL28139664 0.82 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4TDP1KMT2A
SCHEMBL13278516 0.81 ZDHHC7 (0.40) ZDHHC7KMT2AGPR84
SCHEMBL28875575 0.79 ZDHHC7 (0.36) ZDHHC7KMT2AGPR84
SCHEMBL14730774 0.79 ZDHHC7 (0.41) ZDHHC7KMT2AGPR84

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114746070-A Sunscreen compositions with multiple photoprotective UV filters 科蒂公司 2022-07-12 CN claimed
CN-106608937-B Catalytic component and its preparation method and application for olefinic polymerization 中国石油化工股份有限公司 2019-04-19 CN claimed
CN-106608933-B Catalytic component and its preparation method and application for olefinic polymerization 中国石油化工股份有限公司 2019-03-26 CN claimed
CN-114746070-A Sunscreen compositions with multiple photoprotective UV filters 科蒂公司 2022-07-12 CN disclosed