SCHEMBL8650986

SCHEMBL8650986

O=C(O)CN(CC(=O)O)CC(Cc1ccc(NC(=O)CCCCN2C(=O)C=CC2=O)cc1)N(CC(=O)O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL21652469 0.95 HPGD (0.39) HPGDSMN1; SMN2PTGS1PTGS2OPRM1
SCHEMBL21652471 0.94 HPGD (0.41) HPGDSMN1; SMN2PTGS1PTGS2OPRM1
SCHEMBL8651451 0.93 OPRM1 (0.37) SMN1; SMN2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL21652465 0.92 CA1 (0.38) HPGDSMN1; SMN2PTGS1PTGS2OPRM1
SCHEMBL21652486 0.92 CA1 (0.38) HPGDSMN1; SMN2PTGS1PTGS2OPRM1
SCHEMBL21652485 0.90 OPRM1 (0.36) HPGDSMN1; SMN2PTGS1PTGS2OPRM1
SCHEMBL24024215 0.90 OPRM1 (0.37) HPGDSMN1; SMN2PTGS1PTGS2OPRM1
SCHEMBL21652472 0.88 CA1 (0.39) SMN1; SMN2OPRM1OPRD1OPRK1KMT2A
SCHEMBL21652477 0.88 OPRM1 (0.36) HPGDSMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL21652476 0.88 OPRM1 (0.36) HPGDSMN1; SMN2OPRM1OPRD1OPRK1

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-5790627-A Method and apparatus for observing a specimen using an X-ray microscope RESEARCH DEVELOPMENT CORP. (JP) 1998-08-04 US disclosed