SCHEMBL7855992

SCHEMBL7855992

CCOC(=O)c1cnc(Cl)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.46
DPP4 P27487 1/20 0.45
MEN1 O00255 1/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
HSP90AA1 P07900 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL3516119 0.87 BAZ2B (0.49) KDM4EALDH1A1KMT2ADPP4MEN1
SCHEMBL13982866 0.85 DGAT1 (0.49) KDM4EALDH1A1KMT2ADPP4MEN1
SCHEMBL29574609 0.85 BAZ2B (0.51) CA12CA1CA2CA9KDM4E
SCHEMBL190973 0.85 BAZ2B (0.51) CA12CA1CA2CA9KDM4E
SCHEMBL24341947 0.84 KMT2A (0.46) KDM4EALDH1A1KMT2ADPP4MEN1
SCHEMBL29557951 0.84 KMT2A (0.46) KDM4EALDH1A1KMT2ADPP4MEN1
SCHEMBL27861298 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL502007 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL31387951 0.83 CYP4F2 (0.46) KDM4EALDH1A1KMT2ADPP4MEN1
SCHEMBL2445600 0.83 HSP90AA1 (0.50) KDM4EALDH1A1KMT2ADPP4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700399-B1 36-DERIVATIVES OF RIFAMYCINS AND THEIR USE AS ANTIMICROBIAL AGENTS LEPETIT SPA (IT) 2001-10-04 EP disclosed
US-5786350-A CONDENSATION; HYDROLYSIS; DEPROTECTING GRUPPO LEPETIT S.P.A. (IT) 1998-07-28 US disclosed
EP-0700399-A1 36-DERIVATIVES OF RIFAMYCINS AND THEIR USE AS ANTIMICROBIAL AGENTS GRUPPO LEPETIT S.P.A. (IT) 1996-03-13 EP disclosed
WO-1994028002-A1 36-DERIVATIVES OF RIFAMYCINS AND THEIR USE AS ANTIMICROBIAL AGENTS GRUPPO LEPETIT S.P.A. (IT) 1994-12-08 WO disclosed