SCHEMBL14033709

SCHEMBL14033709

CCOc1cc(C(O)c2ccccc2)ccc1OC(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.47
PDE4B Q07343 4/20 0.42
NPSR1 Q6W5P4 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 3/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
TNF P01375 1/20 0.39
CNR2 P34972 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL10702236 0.84 PDE4A (0.53) PDE4APDE4BNPSR1SMN1; SMN2PDE4C
SCHEMBL14034049 0.83 PDE4B (0.42) PDE4APDE4BNPSR1SMN1; SMN2RAB9A
SCHEMBL16951534 0.77 RAB9A (0.40) PDE4APDE4BNPSR1SMN1; SMN2RAB9A
SCHEMBL4818551 0.76 PPARG (0.51) PDE4APDE4BSMN1; SMN2PDE4CPDE4D
SCHEMBL1143446 0.75 PDE4A (0.45) PDE4APDE4BNPSR1SMN1; SMN2RAB9A
SCHEMBL4819752 0.74 SMPD1 (0.51) PDE4APDE4BNPSR1SMN1; SMN2RAB9A
SCHEMBL1765748 0.74 HIF1A (0.45) PDE4APDE4BNPSR1RAB9APDE4C
SCHEMBL7371299 0.72 TSHR (0.63) PDE4APDE4BNPSR1RAB9APDE4C
SCHEMBL16956686 0.72 MAPT (0.46) PDE4BNPSR1SMN1; SMN2RAB9AMEN1
SCHEMBL4826116 0.72 PDE4A (0.51) PDE4APDE4BNPSR1SMN1; SMN2PDE4C

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 2 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