SCHEMBL28928552

SCHEMBL28928552

CCCCCOC(=O)C(CCC(C)C)(C(=O)OCCCCC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CYP3A4 P08684 4/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 3/20 0.42
SCN1A P35498 3/20 0.42
SCN2A Q99250 3/20 0.42
SCN3A Q9NY46 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL16732274 0.96 MEN1 (0.44) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL16732021 0.91 LMNA (0.45) TSHRCYP3A4LMNAALDH1A1MEN1
SCHEMBL31147061 0.88 TSHR (0.51) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL31147064 0.88 TSHR (0.51) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL31147057 0.88 TSHR (0.51) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL28650325 0.86 TSHR (0.48) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL16732231 0.85 PIN1 (0.45) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL28123172 0.85 TSHR (0.49) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL31147056 0.83 TSHR (0.53) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL28123181 0.83 TSHR (0.50) TSHRCYP3A4TP53MAPK1LMNA

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