SCHEMBL7380749

SCHEMBL7380749

CCOC(=O)CCNC(=O)[C@H](Cc1ccccc1)OP(=O)(O)CCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
REN P00797 8/20 0.46
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX5 P09917 1/20 0.43
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
SRC P12931 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL7386327 0.95 POLB (0.45) POLBRENCYP2D6CYP2C19CYP3A4
SCHEMBL7416551 0.89 CYP3A4 (0.44) POLBCYP2D6CYP2C19CYP3A4MMP8
SCHEMBL7382521 0.89 CYP3A4 (0.43) POLBCYP2D6CYP2C19CYP3A4MMP8
SCHEMBL7384151 0.87 CYP3A4 (0.46) POLBCYP2D6CYP2C19CYP3A4MMP8
SCHEMBL7292418 0.87 ACE (0.52) RENMMP8
SCHEMBL7292424 0.87 ACE (0.52) RENMMP8
SCHEMBL7291349 0.84 ACE (0.51)
SCHEMBL7291337 0.84 ACE (0.51)
SCHEMBL7383775 0.83 CYP3A4 (0.44) POLBCYP2D6CYP2C19CYP3A4MMP8
SCHEMBL7375688 0.82 HRH4 (0.46) POLBCYP2D6CYP2C19CYP3A4KMT2A

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-4853476-A Phosphorus containing compounds as inhibitors of enkephalinases SCHERING CORPORATION (US) 1989-08-01 US disclosed