SCHEMBL27833005

SCHEMBL27833005

O=C(O)CCC1(NC2CCCCC2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
EPHX2 P34913 2/20 0.41
EPHX1 P07099 8/20 0.40
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7118706 0.74 DPP4 (0.37) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A
SCHEMBL7117796 0.71 DPP4 (0.36) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A
SCHEMBL7120600 0.70 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL11037957 0.70 ALDH1A1 (0.35) ALDH1A1EPHX1MAPTKDM4EPOLB
SCHEMBL28879161 0.69 ALDH1A1 (0.39) ALDH1A1EPHX2EPHX1SMN1; SMN2CYP3A4
SCHEMBL7115479 0.69 HDAC3 (0.33) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A
SCHEMBL28327457 0.69 SIGMAR1 (0.41) EPHX2EPHX1
SCHEMBL28327437 0.69 SIGMAR1 (0.41) EPHX2EPHX1
Succinic Acid SCHEMBL28239934 0.69 ALDH1A1 (0.67) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A
SCHEMBL14840177 0.68 MAPT (0.45) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A

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
CN-102516240-A Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK AS 2012-06-27 CN disclosed
CN-1910166-B Heteroaryl ureas and their use as glucokinase activators NOVO NORDISK AS 2012-01-04 CN disclosed