SCHEMBL7913680

SCHEMBL7913680

O=C(O)C(=Cc1ccccc1)C(=O)c1ccc(F)cc1

nearest known ligand 0.60

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
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TP53 P04637 1/20 0.49
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ERAP1 Q9NZ08 1/20 0.47
AKR1C1 Q04828 1/20 0.46
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL7913686 0.93 KMT2A (0.54) KMT2AMEN1POLBCES2CES1
SCHEMBL112001 0.87 AKR1C1 (0.59) KMT2AMEN1POLBCES2CES1
SCHEMBL4730607 0.87 AKR1C1 (0.59) KMT2AMEN1POLBCES2CES1
SCHEMBL112002 0.87 AKR1C1 (0.59) KMT2AMEN1POLBCES2CES1
SCHEMBL7913674 0.87 MAPT (0.50) KMT2AMEN1POLBCES2CES1
SCHEMBL7949277 0.85 ALDH1A1 (0.48) KMT2AMEN1POLBCES2CES1
SCHEMBL28258743 0.83 CES2 (0.58) KMT2AMEN1POLBCES2CES1
Nitrous Acid SCHEMBL4946663 0.81 AKR1C1 (0.52) KMT2AMEN1POLBCES2CES1
SCHEMBL7913676 0.80 BRAF (0.49) KMT2AMEN1POLBCES2CES1
SCHEMBL3923058 0.79 TP53 (0.61) KMT2AMEN1POLBTP53HTT

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