SCHEMBL14966652

SCHEMBL14966652

O=C(O)c1ccc(CCOc2ccccc2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
POLB P06746 1/20 0.50
CASP6 P55212 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PLA2G4B P0C869 2/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
NR4A2 P43354 4/20 0.47
KMT2A Q03164 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
PTGER4 P35408 1/20 0.46
PLA2G4A P47712 1/20 0.46
PPARA Q07869 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
SCHEMBL14966988 0.86 MAPT (0.65) PKMPOLBPARP10MAPTRAB9A
SCHEMBL14966439 0.82 PKM (0.57) PKMPOLBCASP6PARP10PLA2G4B
SCHEMBL14966397 0.82 PKM (0.57) PKMPOLBCASP6PARP10PLA2G4B
SCHEMBL11328385 0.82 PKM (0.60) PKMPOLBCASP6PARP10PLA2G4B
SCHEMBL1285278 0.77 PKM (1.00) PKMPOLBCASP6PARP10PLA2G4B
SCHEMBL14967007 0.77 PDPK1 (0.47) RAB9AKMT2A
SCHEMBL12544848 0.76 PKM (0.56) PKMPOLBCASP6PARP10PLA2G4B
SCHEMBL9952644 0.76 RXRA (0.49) POLBTP53TSHRMAPTRAB9A
SCHEMBL3649295 0.76 HTR7 (0.54) POLBTP53TSHRMAPTRAB9A
SCHEMBL16368720 0.76 PKM (0.65) PKMPARP10PLA2G4BTP53TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed