SCHEMBL5580147

SCHEMBL5580147

O=C(NC(C(=O)O)C(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.55
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CAPN1 P07384 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
SCHEMBL5580157 0.89 CCR3 (0.51) CCR3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL5580409 0.83 CCR3 (0.49) CCR3MEN1KMT2AGAAMAPT
SCHEMBL7608481 0.82 CCR3 (0.66) CCR3MEN1KMT2ACAPN1
SCHEMBL8014171 0.82 CCR3 (0.66) CCR3MEN1KMT2ACAPN1
SCHEMBL5580155 0.81 CCR3 (0.48) CCR3MEN1KMT2AGAAMAPT
SCHEMBL3926458 0.77 CCR3 (0.59) CCR3CAPN1
SCHEMBL3926453 0.77 CCR3 (0.59) CCR3CAPN1
SCHEMBL8173772 0.76 CCR3 (0.58) CCR3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL8017638 0.76 CCR3 (0.58) CCR3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL29447178 0.75 CCR3 (0.62) CCR3

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-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed