SCHEMBL4190179

SCHEMBL4190179

O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)OC(C(=O)O)C(O)C(=O)O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
TP53 P04637 1/20 0.71
CYP2D6 P10635 1/20 0.51
RECQL P46063 1/20 0.49
ALDH1A1 P00352 2/20 0.45
LMNA P02545 3/20 0.41
F2 P00734 1/20 0.41
PRKCA P17252 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SLC6A3 Q01959 2/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC6A2 P23975 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 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
SCHEMBL3709855 1.00 TSHR (0.71) TSHRTP53CYP2D6RECQLALDH1A1
SCHEMBL2596611 0.92 TSHR (0.78) TSHRTP53CYP2D6RECQLALDH1A1
SCHEMBL23266974 0.92 TSHR (0.78) TSHRTP53CYP2D6RECQLALDH1A1
SCHEMBL2331470 0.92 TSHR (0.78) TSHRTP53CYP2D6RECQLALDH1A1
SCHEMBL341403 0.92 TSHR (0.78) TSHRTP53CYP2D6RECQLALDH1A1
Water SCHEMBL10705613 0.90 TSHR (0.75) TSHRTP53CYP2D6RECQLALDH1A1
Cadaverine Tartrate SCHEMBL16541102 0.88 TSHR (0.85) TSHRTP53CYP2D6RECQLALDH1A1
SCHEMBL7023442 0.86 TP53 (0.51) TSHRTP53CYP2D6RECQLALDH1A1
SCHEMBL11886503 0.84 TSHR (1.00) TSHRTP53CYP2D6RECQLALDH1A1
SCHEMBL223030 0.84 TSHR (1.00) TSHRTP53CYP2D6RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029576-A1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007124329-A1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed