SCHEMBL6804822

SCHEMBL6804822

O=[C]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MAOB P27338 6/20 0.43
ITGA4 P13612 8/20 0.42
ITGB1 P05556 4/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL6805550 0.81 SLC22A12 (0.43) MAOB
SCHEMBL7266539 0.78 SMN1; SMN2 (0.59) SMN1; SMN2MAOBITGA4ITGB1KMT2A
SCHEMBL7266467 0.78 SMN1; SMN2 (0.59) SMN1; SMN2MAOBITGA4ITGB1KMT2A
SCHEMBL13110148 0.78 SMN1; SMN2 (0.59) SMN1; SMN2MAOBITGA4ITGB1KMT2A
SCHEMBL3334242 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ITGA4ITGB1KMT2AMEN1
SCHEMBL3334244 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ITGA4ITGB1KMT2AMEN1
SCHEMBL6602394 0.77 SMN1; SMN2 (0.57) SMN1; SMN2MAOBITGA4ITGB1KMT2A
SCHEMBL3499309 0.76 NR1H4 (0.58) SMN1; SMN2ITGA4ITGB1NR1H4
SCHEMBL6805048 0.76 LMNA (0.58) SMN1; SMN2MAOBRAB9A
SCHEMBL6804479 0.75 MAOB (0.47) MAOB

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-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed