SCHEMBL4737032

SCHEMBL4737032

CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1=CC(=O)[C@]12CC[C@@H](OCc1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
MMP1 P03956 8/20 0.40
CTSL P07711 2/20 0.40
ELANE P08246 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4737029 1.00 BCHE (0.41) BCHEITGA4ITGB7MMP1CTSL
SCHEMBL4734039 0.88 MMP1 (0.42) MMP1ELANE
SCHEMBL4734043 0.88 MMP1 (0.42) MMP1ELANE
SCHEMBL6532346 0.84 ITGB1 (0.41) ITGA4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6131675 0.82 MAPT (0.37) ELANEALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4736897 0.80 MMP1 (0.39) ITGA4MMP1ELANE
SCHEMBL4734050 0.78 LMNA (0.41) ITGA4ELANEALDH1A1LMNAMAPT
SCHEMBL6131689 0.74 L3MBTL1 (0.36) ITGA4ITGB7CTSLMAPTSMN1; SMN2
SCHEMBL6131662 0.73 ITGB1 (0.50) ITGA4ALDH1A1LMNAMAPTMEN1
SCHEMBL6131661 0.73 ITGB1 (0.50) ITGA4ALDH1A1LMNAMAPTMEN1

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
WO-2008064830-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES UCB PHARMA, S.A. (BE) 2008-06-05 WO claimed
WO-2008064830-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES UCB PHARMA, S.A. (BE) 2008-06-05 WO disclosed