SCHEMBL9202964

SCHEMBL9202964

CN1C(=O)OCc2cc(I)ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.47
SRD5A1 P18405 1/20 0.35
CMA1 P23946 1/20 0.34
TDP2 O95551 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
APP P05067 1/20 0.30
LMNA P02545 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL12090660 0.81 KDM4E (0.40) SRD5A1CMA1ALDH1A1GAAMAPT
SCHEMBL30293240 0.80 EGFR (0.40) CMA1ALDH1A1MAPT
SCHEMBL17421175 0.80 BRD4 (0.41) SRD5A1CMA1MAPTHPGDLMNA
SCHEMBL28979216 0.80 EGFR (0.40) CMA1ALDH1A1MAPT
SCHEMBL30293275 0.78 LMNA (0.49) SRD5A1ALDH1A1GAAMAPTHPGD
SCHEMBL6602559 0.78 LMNA (0.49) SRD5A1ALDH1A1GAAMAPTHPGD
SCHEMBL5423529 0.75 MAOA (0.44) MAOAMAOB
Hydrochloric Acid SCHEMBL30293269 0.74 MAOA (0.42) MAOAMAOB
SCHEMBL16506973 0.74 TRIM24 (0.49) CASP3ALDH1A1GAALMNA
SCHEMBL8554279 0.72 CYP11B2 (0.51) CASP3SRD5A1PDE3BPDE3ACYP11B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462813-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-10-25 EP disclosed
US-5373007-A Lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-12-13 US disclosed
US-5321025-A Inhibitors of 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-06-14 US disclosed
US-5217969-A Antiinflammatory, antiulcer agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed