SCHEMBL18636751

SCHEMBL18636751

C=CC(=O)NCc1cc(C)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.44
AMY1A P0DUB6 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SETDB1 Q15047 1/20 0.40
HPGD P15428 2/20 0.39
GFER P55789 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL29157949 0.84 EGFR (0.49) TGM2MAPT
SCHEMBL5082960 0.83 NPC1 (0.55) TGM2MEN1KMT2ANPC1RAB9A
SCHEMBL28973935 0.82 PKM (0.55) TGM2KMT2AHTTHPGDPKM
SCHEMBL18630147 0.82 TGM2 (0.49) TGM2MEN1KMT2AUSP2MAPK1
SCHEMBL28987060 0.81 TGM2 (0.49) TGM2KMT2AMAPK1GAA
SCHEMBL8983177 0.81 MEN1 (0.49) TGM2NPSR1MEN1KMT2AUSP2
SCHEMBL27736017 0.81 MCL1 (0.43) TGM2MEN1KMT2AMAPK1NPC1
SCHEMBL27965323 0.81 CA1 (0.53) TGM2GAALMNA
SCHEMBL25976165 0.81 MAPK8 (0.44) KMT2AMAPK1NPC1GAAMAPT
SCHEMBL2264130 0.80 TGM2 (0.50) TGM2KMT2ANPC1RAB9AGAA

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-3141567-B1 POLYMERIZABLE POLYACIDIC POLYMER DENTSPLY DETREY GMBH (DE) 2019-08-28 EP disclosed
EP-3141567-A1 POLYMERIZABLE POLYACIDIC POLYMER DENTSPLY DETREY GmbH (DE) 2017-03-15 EP disclosed