SCHEMBL14967355

SCHEMBL14967355

CC(Oc1ccccc1)c1ccc(C(=O)O)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.48
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
HCAR3 P49019 7/20 0.45
ALKBH1 Q13686 1/20 0.45
LDHA P00338 1/20 0.45
P4HA1 P13674 2/20 0.43
P4HTM Q9NXG6 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
MIF P14174 1/20 0.42

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
SCHEMBL14967482 0.88 ALDH1A1 (0.47) GCKKMT2APOLBHCAR3MAPT
SCHEMBL14966276 0.87 KDM4E (0.50) GCKKMT2APOLBMAPT
SCHEMBL3646089 0.81 KMT2A (0.54) KMT2APOLBALKBH1PKMRXRA
SCHEMBL9952589 0.81 MAP4K4 (0.46) KMT2ARXRARXRB
SCHEMBL17319351 0.78 POLB (0.50) POLBMAPT
SCHEMBL30043919 0.77 HCAR3 (0.56) HCAR3LDHAP4HA1P4HTMMAPT
SCHEMBL100969 0.77 HCAR3 (0.56) HCAR3LDHAP4HA1P4HTMMAPT
SCHEMBL14966974 0.76 POLB (0.49) KMT2APOLBMAPTPKM
SCHEMBL14967524 0.76 KMT2A (0.59) GCKKMT2AALKBH1PKMRXRA
SCHEMBL14966382 0.76 KMT2A (0.59) GCKKMT2AALKBH1PKMRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
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
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed