SCHEMBL20433685

SCHEMBL20433685

Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(OCC(O)COCC(C)C)cc3O)n2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.39
ADRB1 P08588 2/20 0.39
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7128120 0.92 ADRB2 (0.42) ADRB2ADRB1KMT2ASMN1; SMN2NPC1
SCHEMBL2614737 0.90 ADRB2 (0.37) ADRB2ADRB1KMT2ASMN1; SMN2NPC1
SCHEMBL10330182 0.90 ADRB2 (0.38) ADRB2ADRB1KMT2ASMN1; SMN2NPC1
SCHEMBL14431829 0.89 ADRB2 (0.36) ADRB2ADRB1KMT2ASMN1; SMN2NPC1
SCHEMBL10315641 0.89 LMNA (0.37) ADRB2ADRB1KMT2ASMN1; SMN2NPC1
SCHEMBL22738432 0.88 ADRB2 (0.40) ADRB2ADRB1KMT2ASMN1; SMN2NPC1
SCHEMBL9917148 0.87 NPC1 (0.39) ADRB2ADRB1KMT2ASMN1; SMN2NPC1
SCHEMBL39738 0.87 PLA2G4B (0.39) ADRB2ADRB1KMT2ASMN1; SMN2NPC1
SCHEMBL15721408 0.87 PLA2G4B (0.39) ADRB2ADRB1KMT2ASMN1; SMN2NPC1
SCHEMBL29497700 0.87 PLA2G4B (0.39) ADRB2ADRB1KMT2ASMN1; SMN2NPC1

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-20230013987-A1 PHOTOCURABLE SILICONE COMPOSITION AND CURED PRODUCT THEREOF DOW SILICONES CORPORATION 2023-01-19 US disclosed
US-20220144712-A1 SHAPED ARTIFICIAL POLYMER ARTICLES BASF SE (DE) 2022-05-12 US disclosed
WO-2021102074-A1 PHOTOCURABLE SILICONE COMPOSITION AND CURED PRODUCT THEREOF DOW SILICONES CORPORATION (US) 2021-05-27 WO disclosed
EP-3137296-B1 MULTI-LAYERED FILM AND THE USE THEREOF BASF SE (DE) 2018-08-01 EP disclosed