SCHEMBL7300946

SCHEMBL7300946

COCCOCCOCCNC(=O)[C@@H](N)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
POLB P06746 1/20 0.40
CA2 P00918 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
BRD4 O60885 1/20 0.37
DPP4 P27487 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
PTGER3 P43115 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TLR2 O60603 2/20 0.36
REN P00797 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL12310889 0.91 MEN1 (0.48) MEN1KMT2APOLBCA2SMN1; SMN2
SCHEMBL7298639 0.87 MEN1 (0.51) MEN1KMT2APOLBCA2SMN1; SMN2
SCHEMBL26621066 0.84 KMT2A (0.63) MEN1KMT2APOLBCA2SMN1; SMN2
SCHEMBL26059049 0.84 KMT2A (0.63) MEN1KMT2APOLBCA2SMN1; SMN2
SCHEMBL8404642 0.84 KMT2A (0.63) MEN1KMT2APOLBCA2SMN1; SMN2
SCHEMBL13360503 0.83 MEN1 (0.54) MEN1KMT2APOLBCA2SMN1; SMN2
SCHEMBL7041313 0.83 MEN1 (0.50) MEN1KMT2APOLBCA2SMN1; SMN2
SCHEMBL19324447 0.82 MEN1 (0.52) MEN1KMT2ADPP4FAPDPP8
SCHEMBL13328241 0.82 MEN1 (0.53) MEN1KMT2APOLBCA2SMN1; SMN2
SCHEMBL20086826 0.82 MEN1 (0.50) MEN1KMT2APOLBCA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337714-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1989-10-18 EP claimed
EP-0337714-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1989-10-18 EP disclosed