SCHEMBL8186558

SCHEMBL8186558

CCCCCCCCCCCCCCCCCCOCC(O)CN1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 4/20 0.53
USP2 O75604 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.51
LPAR5 Q9H1C0 1/20 0.46
POLB P06746 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
TLR2 O60603 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL11153413 1.00 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1USP2KDM4EALOX15
SCHEMBL8200273 1.00 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1USP2KDM4EALOX15
SCHEMBL11125930 0.98 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1USP2KDM4EALOX15
SCHEMBL8352923 0.94 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1USP2KDM4EALOX15
Iodide SCHEMBL10378669 0.85 USP2 (0.49) SMN1; SMN2ALDH1A1USP2KDM4EALOX15
SCHEMBL11154511 0.84 KDM4E (0.58) SMN1; SMN2ALDH1A1USP2KDM4EALOX15
SCHEMBL9751080 0.83 ALDH1A1 (0.57) ALDH1A1USP2KDM4EALOX15HTT
SCHEMBL23673724 0.82 USP2 (0.71) SMN1; SMN2ALDH1A1USP2KDM4EALOX15
SCHEMBL8394063 0.82 USP2 (0.71) SMN1; SMN2ALDH1A1USP2KDM4EALOX15
SCHEMBL11151192 0.82 LMNA (0.57) SMN1; SMN2ALDH1A1USP2KDM4EALOX15

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000059906-A1 AMINOHETEROCYCLE-SUBSTITUTED GLYCEROLS CLARION PHARMACEUTICALS, INC. (US) 2000-10-12 WO disclosed