SCHEMBL8844211

SCHEMBL8844211

CCN1C(=O)C(=C2C=C(C)CC(C)(C)C2)C(=O)N(CC)C1=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
RXFP1 Q9HBX9 2/20 0.48
ALDH1A1 P00352 8/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 7/20 0.37
TNFRSF1A P19438 4/20 0.37
HPGD P15428 3/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 4/20 0.34
KDM4C Q9H3R0 2/20 0.34
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
PKM P14618 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL8977022 0.69 MEN1 (0.31) MEN1KMT2ARXFP1ALDH1A1
SCHEMBL14713012 0.64 ENPP3 (0.43) MEN1KMT2ARXFP1ALDH1A1SMN1; SMN2
SCHEMBL11147247 0.64 MEN1 (0.42) MEN1KMT2ARXFP1ALDH1A1SMN1; SMN2
SCHEMBL21104341 0.63 MEN1 (0.47) MEN1KMT2ARXFP1ALDH1A1SMN1; SMN2
Butane SCHEMBL9547559 0.62 LMNA (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL12758213 0.62 LMNA (0.42) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12609622 0.62 KMT2A (0.50) MEN1KMT2ARXFP1ALDH1A1SMN1; SMN2
SCHEMBL12609668 0.62 MEN1 (0.50) MEN1KMT2ARXFP1ALDH1A1SMN1; SMN2
SCHEMBL14020128 0.62 MEN1 (0.46) MEN1KMT2ARXFP1ALDH1A1SMN1; SMN2
SCHEMBL12609730 0.61 MEN1 (0.49) MEN1KMT2ARXFP1ALDH1A1SMN1; SMN2

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
US-5688896-A Non-linear optically active polycarbonate AKZO NOBEL N.V. (NL) 1997-11-18 US disclosed
US-5588083-A Non-linear optically active polycarbonate AKZO NOBEL N.V. (NL) 1996-12-24 US disclosed