SCHEMBL11083992

SCHEMBL11083992

CCOC(=O)c1ccc2c(c1)C(c1c(C)n(CC)c3ccccc13)(N(c1ccccc1)c1ccc(OCC)cc1)OC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.38
MAPT P10636 4/20 0.37
PTGER4 P35408 4/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MITF O75030 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NPY5R Q15761 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL11064330 0.95 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1NPSR1MAPTPTGER4
SCHEMBL11066385 0.95 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1NPSR1KDM4EMAPT
SCHEMBL11068054 0.94 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1NPSR1KDM4EMAPT
SCHEMBL11062542 0.94 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTPTGER4LMNA
SCHEMBL11062208 0.93 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1NPSR1
SCHEMBL11062617 0.89 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1NPSR1KDM4EMAPT
SCHEMBL11068376 0.89 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1NPSR1KDM4EMAPT
SCHEMBL11068175 0.88 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTPTGER4PKM
SCHEMBL11072094 0.87 PLA2G2A (0.37) SMN1; SMN2
SCHEMBL11066294 0.87 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4EMAPTPTGER4

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
US-4431819-A PRESSURE AND HEAT SENSITIVE ELEMENTS; CARBONLESS COPYING; HECTOGRAPHY; XERORAPHY STERLING DRUG INC. (US) 1984-02-14 US claimed