SCHEMBL10868290

SCHEMBL10868290

O=C(O)C(CCOCCOCc1ccccc1)(Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
CASP1 P29466 2/20 0.39
SSTR4 P31391 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
CYP1A2 P05177 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CTNNB1 P35222 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL10870041 0.86 TDP1 (0.44) TDP1SSTR4GRM2GRM3CYP1A2
SCHEMBL9514922 0.81 TSHR (0.47) TDP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8871911 0.80 TDP1 (0.54) TDP1FFAR1AKR1B1GRM2GRM3
SCHEMBL7317433 0.80 TDP1 (0.61) TDP1SLC1A3SLC1A2SLC1A1GRM2
SCHEMBL10868446 0.73 HRH4 (0.49) TDP1FFAR1AKR1B1SLC1A3SLC1A2
SCHEMBL10868299 0.72 SLC1A3 (0.45) TDP1FFAR1AKR1B1CASP1SLC1A3
SCHEMBL10771744 0.71 ALDH1A1 (0.50) TDP1CYP1A2CTNNB1KDM4EALDH1A1
SCHEMBL9707213 0.70 TSHR (0.58) TDP1FFAR1AKR1B1SLC1A3SLC1A2
SCHEMBL4116787 0.70 ALDH1A1 (0.52) TDP1CYP1A2MEN1KMT2AKDM4E
SCHEMBL10711011 0.70 TDP1 (0.49) TDP1SSTR4SLC1A3SLC1A2SLC1A1

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
EP-0186977-A2 Renin-inhibitory dipeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-09 EP disclosed