SCHEMBL19373340

SCHEMBL19373340

NN(C(=O)C1(C(=O)O)CCC1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.36
AGTR2 P50052 2/20 0.34
TSHR P16473 1/20 0.34
LIG1 P18858 1/20 0.33
HPGD P15428 1/20 0.32
PTGIR P43119 1/20 0.32
PTGDR Q13258 1/20 0.32
RAD52 P43351 1/20 0.32
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL307214 0.74 AGTR2 (0.43) HSD11B1AGTR2APPMAPT
SCHEMBL28238968 0.72 ESR1 (0.42) HSD11B1AGTR2TSHRHPGD
SCHEMBL1266868 0.72 CES2 (0.41) APP
SCHEMBL374161 0.71 ALDH1A1 (0.45) AGTR2TSHR
SCHEMBL372046 0.68 FAAH (0.48) KMT2A
SCHEMBL22265281 0.68 HSD11B1 (0.36) HSD11B1AGTR2MEN1MAPTRECQL
SCHEMBL558091 0.68 AGTR2 (0.41) AGTR2HPGDPTGIRPTGDR
SCHEMBL5807830 0.67 ALDH1A1 (0.53) MEN1MAPTKMT2A
SCHEMBL754646 0.66 TSHR (0.45) TSHRAPPMEN1MAPTKMT2A
SCHEMBL6423500 0.66 L3MBTL1 (0.38) HSD11B1TSHRPTGIRPTGDRMAPT

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-2409704-B1 c-Met modulators and methods of use EXELIXIS INC (US) 2017-09-20 EP disclosed