SCHEMBL25865339

SCHEMBL25865339

C=CC(=O)OCCCCOC(=O)C(CCCCCC)CCCCCCCC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.64
HPGD P15428 1/20 0.64
ALDH1A1 P00352 3/20 0.59
CYP3A4 P08684 1/20 0.59
HCAR2 Q8TDS4 3/20 0.49
ATM Q13315 1/20 0.44
NAAA Q02083 1/20 0.43
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHX1 P07099 1/20 0.41
CA2 P00918 1/20 0.41
THRB P10828 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.39

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
SCHEMBL22561250 0.91 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL19934884 0.91 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL27887847 0.89 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL13898696 0.87 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL23136949 0.87 NAAA (0.55) TSHRALDH1A1HCAR2NAAAEPHX1
SCHEMBL23136968 0.87 NAAA (0.55) TSHRALDH1A1HCAR2NAAAEPHX1
SCHEMBL25234506 0.87 NAAA (0.55) TSHRALDH1A1HCAR2NAAAEPHX1
SCHEMBL23853823 0.87 NAAA (0.55) TSHRALDH1A1HCAR2NAAAEPHX1
SCHEMBL23926564 0.87 NAAA (0.55) TSHRALDH1A1HCAR2NAAAEPHX1
SCHEMBL25237833 0.87 NAAA (0.55) TSHRALDH1A1HCAR2NAAAEPHX1

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
WO-2023126006-A1 CATIONIC LIPID CONTAINING FUNCTIONAL GROUP ON SIDE CHAIN, AND USE THEREOF 厦门赛诺邦格生物科技股份有限公司 2023-07-06 WO disclosed