SCHEMBL27637403

SCHEMBL27637403

CC(=O)Oc1ccc(Cl)cc1.O=C(O)CCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
USP5 P45974 1/20 0.51
MMP1 P03956 1/20 0.51
ELANE P08246 2/20 0.50
HSD17B10 Q99714 3/20 0.49
HPGD P15428 3/20 0.49
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDE4B Q07343 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 1/20 0.48
NR4A2 P43354 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 2/20 0.46
FFAR1 O14842 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL2310682 0.92 KMT2A (0.59) KMT2AUSP5MMP1ELANEHSD17B10
SCHEMBL10865120 0.84 MMP1 (0.69) KMT2AUSP5MMP1HSD17B10HPGD
SCHEMBL392858 0.83 NR4A2 (0.65) KMT2AUSP5MMP1HSD17B10HPGD
Acetic Acid Phenyl Ester SCHEMBL30176020 0.83 NR4A2 (0.67) KMT2AUSP5ELANEHSD17B10HPGD
SCHEMBL6931395 0.80 TP53 (0.52) KMT2AMMP1HPGDALDH1A1MEN1
SCHEMBL7799652 0.80 ELANE (0.69) KMT2AELANEHSD17B10HPGDCYP1A2
SCHEMBL76135 0.80 LMNA (0.64) KMT2AELANEHSD17B10HPGDCYP1A2
SCHEMBL6929611 0.79 MMP1 (0.46) KMT2AUSP5MMP1HSD17B10HPGD
SCHEMBL7857464 0.79 SMN1; SMN2 (0.72) KMT2AUSP5MMP1HSD17B10HPGD
Ammonia Solution, Strong SCHEMBL22437493 0.78 LMNA (0.61) KMT2AELANEHSD17B10HPGDCYP1A2

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
CN-1724532-A Colorant compound XEROX CORP (US) 2006-01-25 CN disclosed