SCHEMBL9459495

SCHEMBL9459495

CCCCCCCCCCCCCCCCNC(=O)OCC(COP(O)Oc1ccc(C[n+]2ccsc2)cc1)OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
PTAFR P25105 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL9458989 1.00 GMNN (0.46) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9459530 0.93 GMNN (0.55) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9459249 0.93 GMNN (0.55) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9459247 0.91 GMNN (0.44) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9459669 0.91 GMNN (0.44) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9459399 0.89 GMNN (0.36) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9459520 0.89 GMNN (0.36) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9459603 0.87 GMNN (0.35) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9459880 0.87 GMNN (0.35) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9459928 0.84

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
US-5234918-A For cardiovascular, respiratory, carcinogenic and inflammatory disorders AMERICAN CYANAMID COMPANY (US) 1993-08-10 US disclosed
US-5215975-A Certain hydroxy-phosphinyl-oxy-phenyl methyl-thiazolium hydroxide inner salts as PAF antagonists AMERICAN CYANAMID COMPANY (US) 1993-06-01 US disclosed