SCHEMBL30487205

SCHEMBL30487205

CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)c(C(=O)O)c1

nearest known ligand 0.88

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.88
TSHR P16473 4/20 0.88
MAPK1 P28482 3/20 0.88
CYP3A4 P08684 3/20 0.67
CA2 P00918 1/20 0.67
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
LMNA P02545 3/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 3/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 1/20 0.38
ESR1 P03372 2/20 0.38

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
SCHEMBL22440166 1.00 ALDH1A1 (0.88) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL4141138 0.96 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL4267217 0.95 ALDH1A1 (0.84) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL4141137 0.95 ALDH1A1 (0.79) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL29659258 0.95 ALDH1A1 (0.79) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL27631103 0.94 ALDH1A1 (0.77) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL29351184 0.94 TSHR (1.00) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL34167 0.94 TSHR (1.00) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL26190010 0.92 ALDH1A1 (0.97) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL28299208 0.91 ALDH1A1 (0.73) ALDH1A1TSHRMAPK1CYP3A4CA2

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-113728054-B Alkali solution resistance improving method for thermoplastic resin 宝理塑料株式会社 2023-07-11 CN disclosed