SCHEMBL7211697

SCHEMBL7211697

NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 5/20 0.52
▸ OPRM1 P35372 4/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ MMP2 P08253 1/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ MME P08473 5/20 0.50
▸ ACE P12821 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ECE1 P42892 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ NPEPPS P55786 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ QRFPR Q96P65 2/20 0.49

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
SCHEMBL7042469 1.00 OPRD1 (0.52) OPRD1OPRM1OPRK1MMP2CTSL
SCHEMBL6828134 1.00 OPRD1 (0.52) OPRD1OPRM1OPRK1MMP2CTSL
SCHEMBL29590936 0.99 OPRD1 (0.51) OPRD1OPRM1OPRK1MMP2CTSL
Hydrochloric Acid SCHEMBL30333426 0.99 OPRD1 (0.51) OPRD1OPRM1OPRK1MMP2CTSL
SCHEMBL30939437 0.99 OPRD1 (0.51) OPRD1OPRM1OPRK1MMP2CTSL
SCHEMBL29714770 0.99 OPRD1 (0.51) OPRD1OPRM1OPRK1MMP2CTSL
SCHEMBL21437346 0.99 OPRD1 (0.51) OPRD1OPRM1OPRK1MMP2CTSL
SCHEMBL30805357 0.95 CTSL (0.51) OPRD1OPRM1OPRK1MMP2CTSL
SCHEMBL29385523 0.95 CTSL (0.51) OPRD1OPRM1OPRK1MMP2CTSL
Trifluoroacetic Acid SCHEMBL23629875 0.94 OPRD1 (0.47) OPRD1OPRM1OPRK1MMP2CTSL

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-6617456-B1 Aminoalkoxy- or hydroxyalkoxy- camptothecin compound that can be bound to a polysaccharide having carboxyl groups via an amino acid or a peptide group; antitumor agents TANABE SEIYAKU CO., LTD. (JP) 2003-09-09 — — US claimed
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