SCHEMBL27680705

SCHEMBL27680705

O=C(O)C[C@]1(c2ccc(Cl)cc2)CCc2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.43
ALDH1A1 P00352 1/20 0.41
KDM1A O60341 2/20 0.40
AKR1B1 P15121 2/20 0.40
KCNK2 O95069 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KIF11 P52732 1/20 0.38
DGAT1 O75907 3/20 0.36
SRD5A1 P18405 2/20 0.36
SRD5A2 P31213 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL27680726 1.00 HSD11B1 (0.43) HSD11B1ALDH1A1KDM1AAKR1B1KCNK2
SCHEMBL5709361 1.00 HSD11B1 (0.43) HSD11B1ALDH1A1KDM1AAKR1B1KCNK2
SCHEMBL27660700 0.90 HSD11B1 (0.42) HSD11B1ALDH1A1KDM1AAKR1B1DGAT1
SCHEMBL5709364 0.90 HSD11B1 (0.42) HSD11B1ALDH1A1KDM1AAKR1B1DGAT1
SCHEMBL27680729 0.90 HSD11B1 (0.42) HSD11B1ALDH1A1KDM1AAKR1B1DGAT1
SCHEMBL5709426 0.89 ALDH1A1 (0.43) HSD11B1ALDH1A1AKR1B1PTGDRPTGDR2
SCHEMBL5363241 0.87 KIF11 (0.47) HSD11B1ALDH1A1KIF11IDO1TDO2
SCHEMBL5709415 0.86 KCNK2 (0.41) HSD11B1ALDH1A1KDM1AKCNK2PTGDR
SCHEMBL5709459 0.83 HSD11B1 (0.39) HSD11B1ALDH1A1AKR1B1DGAT1SRD5A1
SCHEMBL5709379 0.83 HSD11B1 (0.39) HSD11B1ALDH1A1AKR1B1DGAT1SRD5A1

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-1950328-A Phenyl indan derivatives LUNDBECK & CO AS H (DK) 2007-04-18 CN disclosed