SCHEMBL28648366

SCHEMBL28648366

C=CCOC(=O)C(CC)(CC)C(=O)OCCCCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
HPGD P15428 1/20 0.43
NAAA Q02083 1/20 0.41
HCAR2 Q8TDS4 2/20 0.40
EPHX1 P07099 1/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.35
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL28649619 0.95 TSHR (0.49) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL28549680 0.89 TSHR (0.49) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL28653702 0.89 TSHR (0.49) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL28559340 0.88 TSHR (0.42) TSHRHPGDHCAR2ALDH1A1CYP3A4
SCHEMBL28560106 0.88 TSHR (0.47) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL284263 0.86 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL7682195 0.86 NAAA (0.52) TSHRNAAAHCAR2EPHX1ATM
SCHEMBL28670410 0.85 TSHR (0.51) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL28558109 0.84 TSHR (0.47) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL7687964 0.84 NAAA (0.55) TSHRNAAAHCAR2EPHX1ALDH1A1

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
CN-109678997-B Catalyst component and catalyst for olefin polymerization, prepolymerized catalyst and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed