SCHEMBL11228295

SCHEMBL11228295

CC(NC(=O)C(N)CCc1ccccc1)P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 4/20 0.55
ERAP2 Q6P179 3/20 0.55
ANPEP P15144 2/20 0.55
CTSC P53634 2/20 0.51
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LNPEP Q9UIQ6 4/20 0.49
TSHR P16473 1/20 0.49
CPA1 P15085 4/20 0.48
CPA2 P48052 4/20 0.48
CPA4 Q9UI42 4/20 0.48
ACP3 P15309 1/20 0.47
CTSB P07858 1/20 0.46
CTSH P09668 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL1582573 0.86 CTSC (0.56) ERAP2ANPEPCTSC
SCHEMBL23013070 0.81 ACE (0.61) ERAP2ANPEPCTSCMEN1KMT2A
SCHEMBL23013068 0.81 ACE (0.61) ERAP2ANPEPCTSCMEN1KMT2A
SCHEMBL1582649 0.81 OPRD1 (0.52) ANPEPCTSC
SCHEMBL23030452 0.78 LNPEP (0.64) ERAP1ERAP2CTSCSMN1; SMN2LNPEP
SCHEMBL28574389 0.78 LNPEP (0.64) ERAP1ERAP2CTSCSMN1; SMN2LNPEP
SCHEMBL2567389 0.77 TSHR (0.54) ERAP1ERAP2ANPEPCTSCHPGD
SCHEMBL2567392 0.77 TSHR (0.54) ERAP1ERAP2ANPEPCTSCHPGD
SCHEMBL6247713 0.77 TSHR (0.54) ERAP1ERAP2ANPEPCTSCHPGD
SCHEMBL17706116 0.77 LTA4H (0.61) ERAP1ERAP2ANPEPLNPEP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57098294-A None JP disclosed
JP-S5798294-A PHOSPHONODIPEPTIDES GRELAN PHARMACEUT CO LTD 1982-06-18 JP disclosed