SCHEMBL6002337

SCHEMBL6002337

CCOC(=O)Oc1cc2cc(NS(=O)(=O)C(F)(F)F)ccc2n1CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.41
CNR2 P34972 6/20 0.38
CNR1 P21554 3/20 0.38
RORC P51449 4/20 0.37
ALDH1A1 P00352 2/20 0.36
PARG Q86W56 1/20 0.35
P2RX3 P56373 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
BRPF1 P55201 1/20 0.35
HPGD P15428 1/20 0.34
RORA P35398 1/20 0.34
RORB Q92753 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6002233 0.88 ECE1 (0.43) ECE1CNR2CNR1RORCALDH1A1
SCHEMBL6002242 0.86 ECE1 (0.47) ECE1CNR2CNR1RORCALDH1A1
SCHEMBL6002334 0.83 SMN1; SMN2 (0.39) ECE1ALDH1A1MAPK1SMN1; SMN2BRPF1
SCHEMBL6001987 0.81 SMN1; SMN2 (0.41) ALDH1A1MAPK1SMN1; SMN2LMNABRPF1
SCHEMBL6001840 0.80 CACNA1B (0.40) ECE1ALDH1A1MAPK1SMN1; SMN2BRPF1
SCHEMBL6002221 0.80 ECE1 (0.52) ECE1CNR2CNR1RORCBRPF1
SCHEMBL6002268 0.71 MAPK1 (0.38) ECE1MAPK1SMN1; SMN2
SCHEMBL6001895 0.70 POLB (0.47) ECE1ALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL6001714 0.69 MAPT (0.51) MAPK1SMN1; SMN2LMNABRPF1HPGD
SCHEMBL6002292 0.69 SERPINE1 (0.48) ECE1

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-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP claimed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP claimed