SCHEMBL4754126

SCHEMBL4754126

CCN(C(=O)C(C)C(C)NC(=O)O)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
CTSS P25774 2/20 0.32
RECQL P46063 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
SCHEMBL6396268 0.74 POLB (0.43) POLBSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL4744925 0.70 POLB (0.42) POLBSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL5142027 0.68 TSHR (0.42) POLBSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL4754122 0.68 TSHR (0.56) POLBALDH1A1TSHRLMNAMAPT
SCHEMBL9393377 0.67 KCNQ2 (0.44) SMN1; SMN2ALDH1A1TSHRHTTCYP3A4
SCHEMBL27607927 0.66 POLB (0.39) POLBSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL8939923 0.65 ALDH1A1 (0.47) POLBSMN1; SMN2PKMALDH1A1TSHR
SCHEMBL8939927 0.65 HTT (0.38) POLBSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL6396274 0.64 SMN1; SMN2 (0.47) POLBSMN1; SMN2PKMALDH1A1TSHR
SCHEMBL18505994 0.64 SMN1; SMN2 (0.47) POLBSMN1; SMN2ALDH1A1TSHRHTT

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-2008155141-A2 NOVEL FACULTATIVE CATONIC STEROLS NOVOSOM AG (DE) 2008-12-24 WO disclosed