SCHEMBL28665644

SCHEMBL28665644

CCCCCOC(=O)C(Cc1ccccc1)C(=O)OCCCCC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.54
MMP8 P22894 1/20 0.54
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MDM2 Q00987 1/20 0.46
PPARG P37231 3/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL28054295 0.98 TSHR (0.55) TSHRCYP3A4MAPK1TP53MMP8
SCHEMBL14680133 0.98 TSHR (0.55) TSHRCYP3A4MAPK1TP53MMP8
SCHEMBL14680117 0.98 TSHR (0.55) TSHRCYP3A4MAPK1TP53MMP8
SCHEMBL16732085 0.95 TSHR (0.55) TSHRCYP3A4MAPK1TP53MMP8
SCHEMBL14199944 0.88 MMP8 (0.58) TP53MMP8ALDH1A1LMNATDP1
SCHEMBL28343537 0.87 TSHR (0.54) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL5668365 0.86 TSHR (0.53) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL17077436 0.84 ALPI (0.53) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL27549297 0.84 TSHR (0.54) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL299866 0.84 ALPI (0.53) TSHRCYP3A4MAPK1TP53ALDH1A1

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