SCHEMBL22019037

SCHEMBL22019037

O=C(O)CCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCC(=O)O)C5=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
RGS12 O14924 1/20 0.57
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.57
PABPC1 P11940 1/20 0.57
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
RAB9A P51151 1/20 0.57
STAT3 P40763 1/20 0.56
HIF1A Q16665 1/20 0.56
GAA P10253 1/20 0.54
CASP1 P29466 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PTGS1 P23219 4/20 0.53
PTGS2 P35354 4/20 0.53
TERT O14746 4/20 0.51

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
SCHEMBL22018079 0.98 MEN1 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL8200784 0.91 MEN1 (0.67) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL5358249 0.87 MEN1 (0.73) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL17929978 0.84 MEN1 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12019214 0.83 TERT (0.68) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12019210 0.83 TERT (0.64) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL14302831 0.83 KDM4E (0.83) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL16284976 0.81 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4202491 0.81 HDAC8 (0.69) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL607631 0.81 HDAC8 (0.69) SMN1; SMN2MEN1KMT2AALDH1A1GAA

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-2020100781-A1 COLORING COMPOSITION 住友化学株式会社 2020-05-22 WO disclosed