SCHEMBL43874

SCHEMBL43874

CCc1cccc(C(=O)O)c1N(CC)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HMGB1 P09429 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
FOLH1 Q04609 2/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 2/20 0.40
ABCC1 P33527 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1683151 0.89 SMN1; SMN2 (0.47) CLCN2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL29155872 0.84 SCN1A (0.44) CLCN2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL3324739 0.84 CLCN2 (0.39) CLCN2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL129586 0.84 CLCN2 (0.50) CLCN2HMGB1GABRA1GABRB2FOLH1
SCHEMBL269921 0.82 CLCN2 (0.43) CLCN2MEN1KMT2AHMGB1GABRA1
SCHEMBL30274134 0.82 TP53 (0.45) CLCN2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL7101456 0.81 MMP2 (0.50) CLCN2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL10399130 0.80 GABRA1 (0.48) MEN1KMT2AL3MBTL1GABRA1GABRB2
SCHEMBL12427635 0.78 HTT (0.50) MEN1KMT2AHMGB1ALDH1A1TP53
SCHEMBL27181946 0.77 CLCN2 (0.44) CLCN2MEN1KMT2AHMGB1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2923689-B1 Dental composition DENTSPLY DETREY GMBH (DE) 2020-03-18 EP disclosed
EP-3122311-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2017-02-01 EP disclosed
WO-2015144579-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2015-10-01 WO disclosed
EP-2923689-A1 Dental composition DENTSPLY DETREY GmbH (DE) 2015-09-30 EP disclosed
US-7968614-B2 Macromer composition including light activated initiator SURMODICS, INC. (US) 2011-06-28 US disclosed
EP-1893162-A2 MACROMER COMPOSITION INCLUDING LIGHT ACTIVATED INITIATOR SurModics, Inc. (US) 2008-03-05 EP disclosed
WO-2006138542-A2 MACROMER COMPOSITION INCLUDING LIGHT ACTIVATED INITIATOR SURMODICS, INC. (US) 2006-12-28 WO disclosed
US-20060287410-A1 Macromer composition including light activated initiator SURMODICS, INC. 2006-12-21 US disclosed