SCHEMBL8627244

SCHEMBL8627244

CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.47
▸ CAPN1 P07384 4/20 0.44
▸ KEAP1 Q14145 2/20 0.43
▸ RAMP1 O60894 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ XIAP P98170 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ BACE1 P56817 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
SCHEMBL675630 0.83 CAPN1 (0.48) CALCRLCAPN1KEAP1RAMP1CTSB
SCHEMBL8624746 0.83 RAMP3 (0.51) CAPN1KEAP1OPRM1OPRD1
SCHEMBL8624738 0.83 RAMP3 (0.51) CAPN1KEAP1OPRM1OPRD1
SCHEMBL8643257 0.83 KEAP1 (0.47) CALCRLKEAP1
SCHEMBL8643264 0.83 KEAP1 (0.47) CALCRLKEAP1
SCHEMBL30335608 0.83 KEAP1 (0.49) CALCRLCAPN1KEAP1SLC6A2
SCHEMBL26186082 0.83 KEAP1 (0.49) CALCRLCAPN1KEAP1SLC6A2
SCHEMBL26186023 0.83 KEAP1 (0.49) CALCRLCAPN1KEAP1SLC6A2
SCHEMBL8624378 0.82 RAMP3 (0.50) KEAP1OPRM1OPRD1OPRK1
SCHEMBL8624366 0.82 RAMP3 (0.50) KEAP1OPRM1OPRD1OPRK1

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
US-5786205-A ISOLATED PURIFIED DNA ENCODING A POLYPEPTIDE BACTERICIDE FOR TREATING GRAMPOSITIVE BACTERIA INFECTION THE ROCKEFELLER UNIVERSITY (US) 1998-07-28 — — US disclosed
US-5616686-A INCLUDING A SEQUENCE OF AMINO ACIDS CORRESPONDING TO THAT RESPONSIBLE FOR ANCHORING A VIRULENCE DETERMINANT PROTEIN TO THE SURFACE OF A GRAMPOSITIVE COCCAL BACTERIA THE ROCKEFELLER UNIVERSITY (US) 1997-04-01 — — US disclosed
Send feedback