SCHEMBL4902972

SCHEMBL4902972

O=C(O)CCC(=O)c1ccc(Cl)cc1.O=C(O)Cc1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.59
MAPT P10636 2/20 0.59
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
NR4A2 P43354 1/20 0.53
KMT2A Q03164 3/20 0.53
USP5 P45974 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
FFAR1 O14842 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
HIF1A Q16665 1/20 0.51
MEN1 O00255 2/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
CYP2C19 P33261 1/20 0.49
GSK3B P49841 2/20 0.48
HSD17B10 Q99714 1/20 0.47
ERCC5 P28715 1/20 0.47

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
SCHEMBL392858 0.89 NR4A2 (0.65) L3MBTL1MAPTRAB9ANPC1NR4A2
SCHEMBL7857464 0.84 SMN1; SMN2 (0.72) L3MBTL1MAPTRAB9ANPC1NR4A2
SCHEMBL75665 0.83 CA2 (0.62) L3MBTL1MAPTRAB9ANPC1KMT2A
Fenbufen SCHEMBL8199650 0.81 FFAR1 (0.80) L3MBTL1MAPTRAB9ANR4A2KMT2A
SCHEMBL28038880 0.81 CA2 (0.60) L3MBTL1MAPTRAB9ANPC1KMT2A
Methane SCHEMBL1994900 0.81 CA2 (0.60) L3MBTL1MAPTRAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL76051 0.81 CA2 (0.60) L3MBTL1MAPTRAB9ANPC1KMT2A
SCHEMBL16552727 0.81 GSK3B (0.70) L3MBTL1MAPTRAB9ANPC1KMT2A
SCHEMBL7847522 0.80 CA2 (0.50) L3MBTL1MAPTRAB9ANPC1NR4A2
SCHEMBL10865120 0.79 MMP1 (0.69) L3MBTL1MAPTRAB9ANR4A2KMT2A

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-20080184910-A1 Mixture of basic dye and wax XEROX CORPORATION 2008-08-07 US disclosed