SCHEMBL43873

SCHEMBL43873

CCc1c(C(=O)O)cccc1N(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CLCN2 P51788 1/20 0.41
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 2/20 0.39
ABCC1 P33527 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HCAR3 P49019 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR3C1 P04150 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NOX1 Q9Y5S8 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
SCHEMBL1482745 0.84 ALDH1A1 (0.48) TP53SMN1; SMN2CLCN2ALDH1A1ALOX15
SCHEMBL11587536 0.83 PTPN1 (0.38) KMT2ASMN1; SMN2MEN1L3MBTL1CLCN2
SCHEMBL1668024 0.82 TP53 (0.53) TP53HTTKMT2ASMN1; SMN2MEN1
SCHEMBL3324734 0.82 TP53 (0.39) TP53HTTKMT2ASMN1; SMN2MEN1
SCHEMBL1355391 0.81 ALDH1A1 (0.52) SMN1; SMN2CLCN2ALDH1A1ALOX15KDM4E
SCHEMBL11308650 0.81 ALDH1A1 (0.52) TP53HTTKMT2ASMN1; SMN2MEN1
SCHEMBL31339541 0.81 ALDH1A1 (0.52) TP53HTTKMT2ASMN1; SMN2MEN1
SCHEMBL30274134 0.81 TP53 (0.45) TP53HTTKMT2ASMN1; SMN2MEN1
SCHEMBL11522678 0.81 TP53 (0.45) TP53HTTKMT2ASMN1; SMN2MEN1
Ammonia Solution, Strong SCHEMBL27451904 0.80 TP53 (0.51) TP53HTTKMT2ASMN1; SMN2MEN1

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 9 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
US-4132774-A SUNSCREEN AGENTS GAF CORPORATION (US) 1979-01-02 US disclosed