SCHEMBL6571405

SCHEMBL6571405

Cc1cc(C)c(ONOc2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 12/20 0.43
ACHE P22303 1/20 0.35
MAPT P10636 2/20 0.34
GLA P06280 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL1047352 0.74 RAPGEF4 (0.39) RAPGEF4ACHEMAPTGLACA1
SCHEMBL17023255 0.74 RAPGEF4 (0.36) RAPGEF4MAPTGLACA1CA2
SCHEMBL11420240 0.73 RAPGEF4 (0.43) RAPGEF4ACHEMAPTGLACA1
SCHEMBL242786 0.73 RAPGEF4 (0.43) RAPGEF4ACHEMAPTALDH1A1KDM4E
SCHEMBL9116079 0.71 CA1 (0.42) RAPGEF4MAPTCA1CA2MMP1
SCHEMBL10798387 0.71 RAPGEF4 (0.41) RAPGEF4ACHEMAPTALDH1A1KDM4E
SCHEMBL129762 0.71 ACHE (0.57) RAPGEF4ACHEMAPTALDH1A1LMNA
Phosphine SCHEMBL22634061 0.71 RAPGEF4 (0.41) RAPGEF4ACHEMAPTALDH1A1KDM4E
SCHEMBL7023644 0.69 RAPGEF4 (0.39) RAPGEF4ACHEMAPTGLAALDH1A1
Methylamine SCHEMBL18641330 0.69 RAPGEF4 (0.39) RAPGEF4ACHEMAPTALDH1A1KDM4E

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-1393053-A1 ION SENSITIVE ELECTRODES BASED ON OXA-AZAMACROCYCLES AS IONOPHORE FOR THE DETERMINATION OF NITRATE, SALICYLATE, OR PERIODATE ANIONS The Robert Gordon University (GB) 2004-03-03 EP disclosed
WO-2002099409-A1 ION SENSITIVE ELECTRODES BASED ON OXA-AZAMACROCYCLES AS IONOPHORE FOR THE DETERMINATION OF NITRATE, SALICYLATE OR PERIODATE ANIONS THE ROBERT GORDON UNIVERSITY (GB) 2002-12-12 WO disclosed