SCHEMBL17228818

SCHEMBL17228818

CCCCCCCCOc1cc2c3c(cc(OCCCCCCCC)c4c5ccc6c7ccc8c9ccc%10c%11c(C)cc%12c%13c(cc(C)c(c%14ccc(c%15ccc(c%16ccc(c1c34)c5c%166)c7c%158)c9c%14%10)c%13%11)C(=O)N(C(CCCCCCC)CCCCCCC)C%12=O)C(=O)N(C(CCCCCCC)CCCCCCC)C2=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CDC25A P30304 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ CDC25C P30307 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PGAM1 P18669 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PLA2G2D Q9UNK4 1/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ SMPD1 P17405 4/20 0.31

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
SCHEMBL17190552 1.00 PPARG (0.33) PPARGPPARAMAPTTP53CDC25A
SCHEMBL17190546 0.99 PPARG (0.33) PPARGPPARAMAPTTP53CDC25A
SCHEMBL17190553 0.95 PPARG (0.35) PPARGPPARAMAPTTP53CDC25A
SCHEMBL17190554 0.95 PPARG (0.35) PPARGPPARAMAPTTP53CDC25A
SCHEMBL17483878 0.92 PPARG (0.35) PPARGPPARAMAPTTP53CDC25A
SCHEMBL17484032 0.91 PPARG (0.34) PPARGPPARAMAPTTP53CDC25A
SCHEMBL17483942 0.91 CDC25A (0.36) PPARGPPARAMAPTTP53CDC25A
SCHEMBL17483956 0.89 CDC25A (0.36) PPARGPPARAMAPTCDC25ACDC25B
SCHEMBL17483954 0.89 CDC25A (0.36) PPARGPPARAMAPTCDC25ACDC25B
SCHEMBL17228815 0.87 PPARG (0.35) PPARGPPARAMAPTTP53CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702597-B2 Azo dye MERCK PATENT GMBH (DE) 2023-07-18 — — US disclosed
US-20180142153-A1 THIADIAZOLOQUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-24 — — US disclosed
US-20170267929-A1 DEVICE FOR REGULATING THE PASSAGE OF ENERGY MERCK PATENT GMBH (DE) 2017-09-21 — — US disclosed
US-20160033807-A1 DEVICE FOR REGULATING THE PASSAGE OF ENERGY MERCK PATENT GMBH (DE) 2016-02-04 — — US disclosed
US-20150315473-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
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