SCHEMBL4632458

SCHEMBL4632458

CCCCOC(=O)N1CCC(O)CC1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GBA2 Q9HCG7 1/20 0.42
ALDH1A1 P00352 2/20 0.36
DPP4 P27487 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.34
BCHE P06276 1/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
NR1H4 Q96RI1 2/20 0.32
ECE1 P42892 1/20 0.32
EPHX2 P34913 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 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
SCHEMBL28383221 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPOLBGBA2ALDH1A1
SCHEMBL18065023 0.82 RAB9A (0.42) SMN1; SMN2LMNAPOLBGBA2ALDH1A1
SCHEMBL31078958 0.81 DPP4 (0.42) SMN1; SMN2LMNAPOLBGBA2ALDH1A1
SCHEMBL3391192 0.80 CYP3A4 (0.42) SMN1; SMN2LMNAPOLBGBA2ALDH1A1
SCHEMBL26906223 0.80 SMN1; SMN2 (0.40) SMN1; SMN2LMNAPOLBGBA2ALDH1A1
SCHEMBL184778 0.75 LMNA (0.61) SMN1; SMN2LMNAPOLBGBA2ALDH1A1
SCHEMBL20589075 0.75 POLB (0.49) SMN1; SMN2LMNAPOLBGBA2ALDH1A1
SCHEMBL30218180 0.75 GBA2 (0.36) SMN1; SMN2LMNAPOLBGBA2ALDH1A1
SCHEMBL25348025 0.74 GBA2 (0.47) SMN1; SMN2LMNAPOLBGBA2ALDH1A1
SCHEMBL15715693 0.74 GBA2 (0.47) SMN1; SMN2LMNAPOLBGBA2ALDH1A1

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-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed