SCHEMBL1582573

SCHEMBL1582573

C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 2/20 0.56
▸ LAP3 P28838 3/20 0.53
▸ ANPEP P15144 2/20 0.53
▸ ALPI P09923 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ XIAP P98170 1/20 0.51
▸ SLC7A5 Q01650 1/20 0.51
▸ CTRB1 P17538 3/20 0.49
▸ SLC15A1 P46059 1/20 0.49
▸ LTA4H P09960 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ OPRD1 P41143 2/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ ERAP2 Q6P179 1/20 0.47

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
SCHEMBL1582649 0.95 OPRD1 (0.52) CTSCLAP3ANPEPALPIPKM
SCHEMBL11228295 0.86 ERAP1 (0.55) CTSCANPEPERAP2
SCHEMBL10800384 0.83 CTSC (0.63) CTSCANPEPALPIPKMPTGS1
SCHEMBL17877159 0.83 CTSC (0.63) CTSCANPEPALPIPKMPTGS1
SCHEMBL15421957 0.83 CTSC (0.63) CTSCANPEPALPIPKMPTGS1
SCHEMBL1582683 0.82 OPRD1 (0.56) CTSCLAP3ANPEPOPRD1OPRM1
Hydrochloric Acid SCHEMBL7765674 0.81 CTSC (0.61) CTSCANPEPALPIPKMPTGS1
SCHEMBL20990275 0.81 CTSC (0.61) CTSCANPEPALPIPKMPTGS1
SCHEMBL20990429 0.81 CTSC (0.61) CTSCANPEPALPIPKMPTGS1
Bromide SCHEMBL10803036 0.81 CTSC (0.61) CTSCANPEPALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325024-B1 SELECTIVE GROWTH MEDIA NEWCASTLE UPON TYNE HOSPITALS NAT HEALTH SERVICE TRUST (GB) 2011-04-20 — — EP disclosed
US-4134972-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1979-01-16 — — US disclosed
US-4127649-A PEPTIDES HOFFMANN-LA ROCHE INC. (US) 1978-11-28 — — US disclosed
US-4100275-A PEPTIDES HOFFMANN-LA ROCHE INC. (US) 1978-07-11 — — US disclosed
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