SCHEMBL5137199

SCHEMBL5137199

CCCCOC(=O)N1CCC(=O)CC1CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GBA2 Q9HCG7 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
BCHE P06276 1/20 0.34
ATM Q13315 3/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 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
SCHEMBL642245 0.84 ATM (0.45) ALDH1A1ATMKMT2AMEN1L3MBTL1
SCHEMBL9965481 0.84 ATM (0.45) ALDH1A1ATMKMT2AMEN1L3MBTL1
SCHEMBL31612903 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBGBA2PTGDR2
SCHEMBL22117681 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBGBA2PTGDR2
SCHEMBL1835614 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBGBA2PTGDR2
SCHEMBL3635011 0.81 OPRK1 (0.33) POLB
SCHEMBL9965482 0.81 ELANE (0.39) POLBKMT2AMEN1TSHR
SCHEMBL10174353 0.81 ELANE (0.39) POLBKMT2AMEN1TSHR
SCHEMBL15112154 0.79 SMN1; SMN2 (0.39) SMN1; SMN2LMNAPOLBGBA2PTGDR2
SCHEMBL31753062 0.79 LMNA (0.39) SMN1; SMN2LMNAPOLBGBA2PTGDR2

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
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed