SCHEMBL11524103

SCHEMBL11524103

O=C(O)CCC(NC(=O)OCc1ccccc1)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CASP1 P29466 1/20 0.43
CPB1 P15086 1/20 0.43
TGM2 P21980 1/20 0.43
CTRB1 P17538 2/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL9813956 0.91 HTT (0.49) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10829401 0.90 HTT (0.58) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL328476 0.85 HTT (0.57) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2777679 0.83 HTT (0.52) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1398932 0.83 HTT (0.52) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1398933 0.83 HTT (0.52) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2777369 0.83 HTT (0.52) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9087628 0.83 HTT (0.52) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8700050 0.82 HTT (0.55) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL25746327 0.82 HTT (0.55) 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
US-4160866-A CROSSLINKERS FOR NATURAL AND SYNTHETIC RUBBERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-10 US disclosed