SCHEMBL14033727

SCHEMBL14033727

OC(c1ccccc1)c1ccc(OCC2CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 3/20 0.54
LTA4H P09960 1/20 0.52
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
FFAR1 O14842 1/20 0.45

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
SCHEMBL14033522 0.83 GPR88 (0.51) GPR88PARP15PARP10PARP2FNTA
SCHEMBL4525746 0.82 PARP15 (0.54) GPR88PARP15PARP10PARP2FFAR1
SCHEMBL8422265 0.81 ACACB (0.44) GPR88LTA4HPARP15PARP10PARP2
SCHEMBL1990800 0.80 TDP1 (0.57) PARP15PARP10PARP2
SCHEMBL30932889 0.79 PARP15 (0.51) GPR88PARP15PARP10PARP2FFAR1
SCHEMBL28408055 0.79 GPR88 (0.60) GPR88PARP15PARP10PARP2FNTA
SCHEMBL20490289 0.78 GPR88 (0.59) GPR88PARP15PARP10PARP2FNTA
SCHEMBL14033970 0.78 PDE4B (0.41) FFAR1
SCHEMBL29024848 0.78 PARP15 (0.64) PARP15PARP10PARP2
SCHEMBL11247511 0.77 LTA4H (0.57) LTA4HPARP15PARP10PARP2

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
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
EP-1423381-B1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORP (US) 2007-01-03 EP disclosed