SCHEMBL18630147

SCHEMBL18630147

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.49
TRPA1 O75762 1/20 0.43
BACE1 P56817 1/20 0.43
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
HSD17B1 P14061 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
NLRP1 Q9C000 1/20 0.37
GAA P10253 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.36
EGFR P00533 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL18630160 0.85 THRA (0.46) TGM2BACE1ERCC1ERCC4LMNA
SCHEMBL18630143 0.84 TGM2 (0.46) TGM2LMNAMAPK1NLRP1GAA
SCHEMBL28973935 0.82 PKM (0.55) TGM2HSD17B1LMNAALDH1A1KMT2A
SCHEMBL18636751 0.82 TGM2 (0.44) TGM2LMNAMAPK1GAAMEN1
SCHEMBL18630144 0.81 ALDH1A1 (0.49) TRPA1BACE1ERCC1ERCC4HSD17B1
SCHEMBL29157949 0.81 EGFR (0.49) TGM2ALDH1A1MAPTEGFR
SCHEMBL18630146 0.79 TGM2 (0.42) TGM2LMNAMAPK1NLRP1GAA
SCHEMBL28987060 0.79 TGM2 (0.49) TGM2ERCC1ERCC4MAPK1GAA
SCHEMBL8983177 0.79 MEN1 (0.49) TGM2ERCC1ERCC4LMNAALDH1A1
SCHEMBL11795978 0.78 TGM2 (0.50) TGM2ERCC1ERCC4LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3518863-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2023-11-15 EP disclosed
EP-3653194-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS Dentsply DeTrey GmbH (DE) 2020-05-20 EP disclosed
EP-3536303-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2019-09-11 EP disclosed
EP-3141567-B1 POLYMERIZABLE POLYACIDIC POLYMER DENTSPLY DETREY GMBH (DE) 2019-08-28 EP disclosed
WO-2018060516-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2018-04-05 WO disclosed
WO-2017042333-A1 POLYMERIZABLE POLYACIDIC POLYMER DENTSPLY DETREY GMBH (DE) 2017-03-16 WO disclosed
EP-3141567-A1 POLYMERIZABLE POLYACIDIC POLYMER DENTSPLY DETREY GmbH (DE) 2017-03-15 EP disclosed