SCHEMBL28363256

SCHEMBL28363256

CCCCCOC(=O)c1ccc(C)cc1C(=O)OCCCCC

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.68
MAPK1 P28482 3/20 0.68
CYP3A4 P08684 2/20 0.68
TP53 P04637 1/20 0.68
ALDH1A1 P00352 6/20 0.66
LMNA P02545 2/20 0.66
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ESR1 P03372 1/20 0.51
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL28576837 0.98 ALDH1A1 (0.69) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL4628791 0.98 ALDH1A1 (0.69) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL301821 0.95 TSHR (0.67) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL28994534 0.94 TSHR (0.60) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL28994396 0.93 ALDH1A1 (0.61) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL28994414 0.93 ALDH1A1 (0.61) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL6912120 0.92 TSHR (0.63) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL5057740 0.89 TSHR (0.61) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL15675411 0.88 ALDH1A1 (0.65) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL301822 0.88 TSHR (0.61) TSHRMAPK1CYP3A4TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115926331-A Polybutene-1 alloy and preparation method thereof 中国石油天然气股份有限公司 2023-04-07 CN disclosed
CN-110799549-B Process for producing solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for propylene polymerization 东邦钛株式会社 2022-03-15 CN disclosed
CN-110799549-A Process for producing solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for propylene polymerization 东邦钛株式会社 2020-02-14 CN disclosed