SCHEMBL8500636

SCHEMBL8500636

NC(=O)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.45
▸ PTGS1 P23219 1/20 0.40
▸ GSTK1 Q9Y2Q3 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PDCD1LG2 Q9BQ51 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ ITGB2 P05107 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ ITGAL P20701 1/20 0.36
▸ GLO1 Q04760 1/20 0.36
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.34

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
SCHEMBL6136428 1.00 ECE1 (0.45) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL8397119 1.00 ECE1 (0.45) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL6129713 1.00 ECE1 (0.45) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL6129700 1.00 ECE1 (0.45) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL1487366 0.99 ECE1 (0.46) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL8717802 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL9228819 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL29592041 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL8717771 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL7464934 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A

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
EP-0953044-A2 GENE FOR ADENYLATE CYCLASE AND ITS USE BASF AKTIENGESELLSCHAFT (DE) 1999-11-03 — — EP disclosed
WO-1998029538-A2 GENE FOR ADENYLATE CYCLASE AND ITS USE BASF AKTIENGESELLSCHAFT (DE) 1998-07-09 — — WO disclosed
Send feedback