SCHEMBL4664227

SCHEMBL4664227

CC1(c2ccc3[nH]cnc3c2)CCCCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD11B1 P28845 4/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HCRTR1 O43613 7/20 0.32
HCRTR2 O43614 7/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL2595560 0.96 EPHX2 (0.41) EPHX2ALDH1A1HPGDHSD11B1KDM5A
SCHEMBL4664222 0.91 EPHX2 (0.44) EPHX2ALDH1A1HPGDHSD11B1CPT1A
SCHEMBL2595556 0.87 EPHX2 (0.47) EPHX2ALDH1A1HPGDHSD11B1KDM4E
SCHEMBL1078190 0.84 EPHX2 (0.34) EPHX2ALDH1A1HPGDHSD11B1CPT1A
SCHEMBL1078194 0.74 RAF1 (0.40) EPHX2ALDH1A1HPGDHSD11B1CPT1A
SCHEMBL26635227 0.74 HSD11B1 (0.34) EPHX2HSD11B1KDM5AKDM4CHCRTR1
SCHEMBL7449807 0.73 HSD11B1 (0.51) EPHX2ALDH1A1HPGDHSD11B1MEN1
SCHEMBL30338318 0.72 MEN1 (0.47) ALDH1A1HSD11B1SMN1; SMN2MEN1KMT2A
SCHEMBL1464875 0.72 AKR1C3 (0.41) ALDH1A1HPGDKDM4ESMN1; SMN2HTT
SCHEMBL17033076 0.71 MAPT (0.39) EPHX2ALDH1A1KDM4EMAPT

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