SCHEMBL10490997

SCHEMBL10490997

CCN(CC)CC.O=C(NCCCS(=O)(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
CASP3 P42574 3/20 0.43
EPHX2 P34913 1/20 0.42
DOT1L Q8TEK3 1/20 0.39
TLR2 O60603 2/20 0.39

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
SCHEMBL29687601 0.92 KMT2A (0.70) KMT2ACASP3EPHX2
SCHEMBL29687609 0.86 KMT2A (0.61) KMT2ACASP3EPHX2TLR2
SCHEMBL4572008 0.82 KMT2A (0.73) KMT2AEPHX2TLR2
SCHEMBL793384 0.82 KMT2A (0.85) KMT2ACASP3EPHX2TLR2
SCHEMBL29687439 0.82 KMT2A (0.65) KMT2ACASP3EPHX2
SCHEMBL7132449 0.81 KMT2A (0.75) KMT2AEPHX2TLR2
SCHEMBL8236471 0.81 KMT2A (0.70) KMT2AEPHX2
SCHEMBL24513667 0.81 KMT2A (0.63) KMT2ACASP3EPHX2DOT1L
SCHEMBL31295532 0.81 KMT2A (0.63) KMT2ACASP3EPHX2
SCHEMBL697928 0.80 KMT2A (0.73) KMT2ACASP3EPHX2

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-4812512-A SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDES ROUSSEL UCLAF (FR) 1989-03-14 US disclosed