SCHEMBL8538731

SCHEMBL8538731

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(O)OCC[n+]1ccsc1)OC

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.70
USP2 O75604 1/20 0.70
LMNA P02545 1/20 0.70
PTAFR P25105 1/20 0.70
MTOR P42345 1/20 0.70
BLM P54132 1/20 0.70
CYP2C9 P11712 1/20 0.70
TSHR P16473 1/20 0.70

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
SCHEMBL10506196 0.85 GMNN (0.69) GMNNUSP2LMNAPTAFRMTOR
Bromide SCHEMBL8701422 0.84 GMNN (0.71) GMNNUSP2LMNAPTAFRMTOR
Hydrochloric Acid SCHEMBL9575824 0.84 GMNN (0.68) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL8701203 0.83 GMNN (1.00) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9157358 0.82 GMNN (0.55) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9459477 0.82 GMNN (0.55) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9459249 0.82 GMNN (0.55) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9459530 0.82 GMNN (0.55) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9459762 0.79 GMNN (0.52) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9158118 0.79 GMNN (0.52) GMNNUSP2LMNAPTAFRMTOR

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-5854279-A Therapeutic agent for dermatosis EISAI CO., LTD (JP) 1998-12-29 US disclosed
EP-0811379-A1 Therapeutic agent for dermatosis Eisai Co., Ltd. (JP) 1997-12-10 EP disclosed