SCHEMBL9062116

SCHEMBL9062116

O=C(N[C@@H](CCSSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.58
TP53 P04637 3/20 0.58
MDM2 Q00987 6/20 0.54
CASP3 P42574 2/20 0.53
TLR2 O60603 2/20 0.52
SLC17A5 Q9NRA2 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
KMT2A Q03164 1/20 0.50

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
SCHEMBL9062110 1.00 MDM4 (0.58) MDM4TP53MDM2CASP3TLR2
SCHEMBL17316186 0.94 MDM2 (0.54) MDM4TP53MDM2CASP3TLR2
SCHEMBL29400804 0.92 FDFT1 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL29762010 0.92 FDFT1 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL29768618 0.92 FDFT1 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL4600701 0.92 FDFT1 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL800305 0.92 FDFT1 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL800035 0.92 FDFT1 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL29362132 0.92 FDFT1 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL30777648 0.91 MDM4 (0.54) MDM4TP53MDM2CASP3TLR2

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
US-5545568-A ARRAY OF COMPOUNDS ON SUBSTRATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-08-13 US disclosed
WO-1994006291-A1 SOLID PHASE AND COMBINATORIAL SYNTHESIS OF COMPOUNDS ON A SOLID SUPPORT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-03-31 WO disclosed