SCHEMBL14966397

SCHEMBL14966397

Cc1cc(C(=O)O)ccc1CCOc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
POLB P06746 1/20 0.53
CASP6 P55212 1/20 0.53
KMT2A Q03164 1/20 0.50
PTGER4 P35408 1/20 0.49
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
PLA2G4B P0C869 2/20 0.47
PARP10 Q53GL7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 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
SCHEMBL14967302 0.87 MAPT (0.62) PKMPOLBKMT2AMAPTRAB9A
SCHEMBL14967291 0.87 MRGPRX4 (0.54) PKMPOLBKMT2AMAPTGAA
SCHEMBL14966650 0.85 MAOB (0.61) PKMPOLBCASP6PTGER4RAB9A
SCHEMBL14966652 0.82 PKM (0.61) PKMPOLBCASP6KMT2APTGER4
SCHEMBL14966439 0.82 PKM (0.57) PKMPOLBCASP6KMT2APTGER4
SCHEMBL14967211 0.82 PTGER4 (0.49) PKMPOLBCASP6KMT2APTGER4
SCHEMBL11328385 0.82 PKM (0.60) PKMPOLBCASP6KMT2AMAPT
SCHEMBL29145227 0.78 RARB (0.51) PKMMAPTTP53TSHRPLA2G4B
SCHEMBL11423248 0.77 EPHX2 (0.51) KMT2ATSHRSMN1; SMN2L3MBTL1GAA
SCHEMBL11424107 0.77 EPHX2 (0.51) KMT2ATSHRSMN1; SMN2L3MBTL1GAA

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