SCHEMBL4920307

SCHEMBL4920307

COC(=O)CNC(CCCCC(=O)NC(CO)CO)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ RECQL P46063 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36

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
SCHEMBL21271432 0.77 TSHR (0.44) KMT2ARECQLPOLBMEN1
SCHEMBL21271433 0.77 TSHR (0.44) KMT2ARECQLPOLBMEN1
SCHEMBL21271435 0.77 TSHR (0.44) KMT2ARECQLPOLBMEN1
SCHEMBL4915631 0.77 POLB (0.38) KMT2APOLBCNR2HDAC1HDAC6
SCHEMBL21788017 0.72 DNM1 (0.48) KMT2ACNR1CNR2MEN1HDAC1
SCHEMBL19499067 0.70 NOD1 (0.59) KMT2APOLBMEN1
SCHEMBL16086393 0.69 POLB (0.49) KMT2APOLBHDAC1HDAC6
SCHEMBL17256371 0.69 KMT2A (0.65) KMT2APOLBMEN1
SCHEMBL8733276 0.69 NOD1 (0.62) KMT2APOLBMEN1
SCHEMBL8576701 0.69 NOD1 (0.62) KMT2APOLBMEN1

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-20080269065-A1 Conformationally Constrained Analytical Probes SYNTRIX BIOSYSTEMS, INC. (US) 2008-10-30 — — US disclosed
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