SCHEMBL11049758

SCHEMBL11049758

O=C(SCCC(=O)N1c2ccccc2CC[C@H]1C(=O)O)c1ccccc1.[Na]

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
ACE P12821 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
SCHEMBL11046959 1.00 KMT2A (0.54) KMT2AACE
SCHEMBL11046949 0.99 KMT2A (0.55) KMT2AACE
SCHEMBL11047709 0.99 KMT2A (0.55) KMT2AACE
SCHEMBL11049196 0.99 KMT2A (0.55) KMT2AACE
SCHEMBL11046956 0.98 KMT2A (0.54) KMT2AACE
SCHEMBL11049755 0.98 KMT2A (0.54) KMT2AACE
SCHEMBL11048405 0.98 KMT2A (0.54) KMT2AACE
SCHEMBL11047882 0.90 KMT2A (0.49) KMT2AACE
SCHEMBL11050573 0.90 KMT2A (0.49) KMT2AACE
SCHEMBL11049749 0.89 KMT2A (0.47) KMT2AACE

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-4461896-A 1-[Acylthio) and (mercapto)-1-oxoalkyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acids NORWICH EATON PHARMACEUTICALS, INC. (US) 1984-07-24 US disclosed