SCHEMBL10448019

SCHEMBL10448019

O=C(O)CCCC(Cc1ccccc1)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CASP1 P29466 2/20 0.41
FOLH1 Q04609 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
CPB1 P15086 1/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2917076 0.92 HTT (0.51) HTTMEN1KMT2AITGB3ITGA2B
SCHEMBL2921263 0.92 HTT (0.51) HTTMEN1KMT2AITGB3ITGA2B
SCHEMBL7271033 0.86 KMT2A (0.52) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL13774925 0.85 KMT2A (0.47) HTTMEN1KMT2AITGB3ITGA2B
SCHEMBL8915981 0.84 HTT (0.50) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7417244 0.81 MEN1 (0.46) HTTMEN1KMT2AITGB3ITGA2B
SCHEMBL7417247 0.81 MEN1 (0.46) HTTMEN1KMT2AITGB3ITGA2B
SCHEMBL1399017 0.81 HTT (0.50) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1399018 0.81 HTT (0.50) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7286337 0.81 HTT (0.50) HTTMEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363856-A1 Derivative of coumarin, process for its preparation and its use HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-18 EP disclosed