SCHEMBL5709459

SCHEMBL5709459

O=C(O)CC1(c2ccc(Cl)cc2)CCc2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 1/20 0.38
P2RX7 Q99572 1/20 0.37
BACE1 P56817 1/20 0.35
PRMT5 O14744 1/20 0.34
AKR1B1 P15121 2/20 0.34
DGAT1 O75907 3/20 0.34
SRD5A1 P18405 3/20 0.33
SRD5A2 P31213 3/20 0.33
MDM2 Q00987 2/20 0.33
TP53 P04637 1/20 0.33
HDAC4 P56524 1/20 0.33
NR3C1 P04150 1/20 0.33
AR P10275 1/20 0.33
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL27680727 1.00 HSD11B1 (0.39) HSD11B1ALDH1A1P2RX7BACE1PRMT5
SCHEMBL5709379 1.00 HSD11B1 (0.39) HSD11B1ALDH1A1P2RX7BACE1PRMT5
SCHEMBL27660700 0.90 HSD11B1 (0.42) HSD11B1ALDH1A1AKR1B1DGAT1SRD5A1
SCHEMBL5709364 0.90 HSD11B1 (0.42) HSD11B1ALDH1A1AKR1B1DGAT1SRD5A1
SCHEMBL27680729 0.90 HSD11B1 (0.42) HSD11B1ALDH1A1AKR1B1DGAT1SRD5A1
SCHEMBL5709378 0.85 HSD11B1 (0.41) HSD11B1ALDH1A1P2RX7AKR1B1
SCHEMBL5709361 0.83 HSD11B1 (0.43) HSD11B1ALDH1A1AKR1B1DGAT1SRD5A1
SCHEMBL27680726 0.83 HSD11B1 (0.43) HSD11B1ALDH1A1AKR1B1DGAT1SRD5A1
SCHEMBL27680705 0.83 HSD11B1 (0.43) HSD11B1ALDH1A1AKR1B1DGAT1SRD5A1
SCHEMBL5709374 0.82 SLC6A2 (0.47) HSD11B1ALDH1A1AR

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 3 patents. 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
EP-1727785-A1 PHENYL INDAN DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
WO-2005087708-A1 PHENYL INDAN DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO disclosed