SCHEMBL8933069

SCHEMBL8933069

O=C(O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCCO1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.42
FABP7 O15540 2/20 0.42
KMT2A Q03164 2/20 0.40
HNF4A P41235 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP3 P42574 2/20 0.35
OPRD1 P41143 1/20 0.34
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL377928 0.87 KMT2A (0.44) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL3173765 0.82 KMT2A (0.44) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL11902048 0.82 KMT2A (0.45) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL341372 0.81 KMT2A (0.43) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL8843650 0.80 CYP1A2 (0.43) KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6651104 0.77 KMT2A (0.41) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL6796558 0.77 KMT2A (0.43) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL2943202 0.76 KMT2A (0.41) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL1869833 0.75 FABP5 (0.50) FABP5FABP7KMT2AEPHX2CYP1A2
SCHEMBL377644 0.75 KMT2A (0.42) FABP5FABP7KMT2AEPHX2CASP3

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
WO-1996023813-A1 PEPTIDES AND COMPOUNDS THAT BIND TO SH2 DOMAINS AFFYMAX TECHNOLOGIES N.V. (AN) 1996-08-08 WO disclosed