SCHEMBL4734050

SCHEMBL4734050

CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1=CC(=O)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 4/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
ELANE P08246 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR3 P51677 1/20 0.38

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
SCHEMBL6532346 0.86 ITGB1 (0.41) LMNAMAPTCRHBPCRHR2L3MBTL1
SCHEMBL4734251 0.85 PPID (0.46) LMNAITGB1ITGA4ELANE
SCHEMBL6131675 0.84 MAPT (0.37) LMNAMAPTCRHBPCRHR2L3MBTL1
SCHEMBL4736909 0.81 MAPT (0.56) LMNAMAPTCRHBPCRHR2L3MBTL1
Hydrochloric Acid SCHEMBL7986763 0.78 LMNA (0.47) LMNAMAPTCRHBPCRHR2L3MBTL1
SCHEMBL4737029 0.78 BCHE (0.41) LMNAMAPTALDH1A1ITGA4ELANE
SCHEMBL4737032 0.78 BCHE (0.41) LMNAMAPTALDH1A1ITGA4ELANE
SCHEMBL28209573 0.76 LMNA (0.46) LMNAMAPTCRHBPCRHR2L3MBTL1
SCHEMBL7357530 0.74 MEN1 (0.46) LMNAMAPTCRHBPCRHR2L3MBTL1
SCHEMBL7357526 0.74 MEN1 (0.46) LMNAMAPTCRHBPCRHR2L3MBTL1

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