SCHEMBL7913686

SCHEMBL7913686

O=C(O)C(=Cc1ccc(F)cc1)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.54
TP53 P04637 1/20 0.53
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
PLA2G7 Q13093 1/20 0.46
CYP3A4 P08684 1/20 0.46
HIF1A Q16665 1/20 0.46
AKR1C1 Q04828 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
SCHEMBL7913680 0.93 KMT2A (0.54) KMT2AMEN1POLBTP53ALDH1A1
SCHEMBL4730607 0.87 AKR1C1 (0.59) KMT2AMEN1POLBTP53ALDH1A1
SCHEMBL112001 0.87 AKR1C1 (0.59) KMT2AMEN1POLBTP53ALDH1A1
SCHEMBL112002 0.87 AKR1C1 (0.59) KMT2AMEN1POLBTP53ALDH1A1
SCHEMBL7913676 0.87 BRAF (0.49) KMT2AMEN1POLBTP53ALDH1A1
SCHEMBL7949277 0.85 ALDH1A1 (0.48) KMT2AMEN1POLBTP53ALDH1A1
SCHEMBL3923058 0.83 TP53 (0.61) KMT2AMEN1POLBTP53ALDH1A1
Nitrous Acid SCHEMBL4946663 0.81 AKR1C1 (0.52) KMT2AMEN1POLBTP53ALDH1A1
SCHEMBL7913674 0.80 MAPT (0.50) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL28221301 0.79 KMT2A (0.50) KMT2AMEN1POLBALDH1A1MAPT

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-6218501-B1 N-HYDROXYHYDROCARBYL-SUBSTITUTED MALEIMIDE POLYMER OR POLYIMIDE ESTERIFIED WITH CINNAMIC ACID DERIVATIVE CHEIL INDUSTRIES INC. (KR) 2001-04-17 US disclosed