SCHEMBL2925282

SCHEMBL2925282

COCCCN1CCOc2ccc(CO[C@H]3CNC(CC(C)(C)C(=O)NC[C@@H]4CCCO4)CC3c3ccc(OC)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 8/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
REN P00797 1/20 0.35
HTT P42858 4/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 4/20 0.34
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 3/20 0.34
GLA P06280 3/20 0.34
RAB9A P51151 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 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
SCHEMBL3465045 1.00 ALDH1A1 (0.36) ALDH1A1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL3465047 1.00 ALDH1A1 (0.36) ALDH1A1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL2920516 0.91 REN (0.36) ALDH1A1KMT2ASMN1; SMN2RENGAA
SCHEMBL14272005 0.91 REN (0.36) ALDH1A1KMT2ASMN1; SMN2RENRAB9A
SCHEMBL3561065 0.91 REN (0.36) ALDH1A1KMT2ASMN1; SMN2RENRAB9A
SCHEMBL2925320 0.91 REN (0.36) ALDH1A1KMT2ASMN1; SMN2RENRAB9A
SCHEMBL1040158 0.89 REN (0.36) ALDH1A1KMT2ASMN1; SMN2RENRAB9A
SCHEMBL3466476 0.89 REN (0.35) ALDH1A1KMT2ASMN1; SMN2RENLMNA
SCHEMBL8257866 0.89 REN (0.35) ALDH1A1KMT2ASMN1; SMN2RENLMNA
SCHEMBL4583132 0.89 REN (0.35) ALDH1A1KMT2ASMN1; SMN2RENLMNA

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
EP-1863803-B1 SUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2010-09-01 EP disclosed