SCHEMBL7863801

SCHEMBL7863801

CCOC(=O)CC(=O)c1c(F)cc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
GPR35 Q9HC97 1/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
NLRP3 Q96P20 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
TRPA1 O75762 1/20 0.37
ALOX5 P09917 4/20 0.37
MIF P14174 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL24048190 0.87 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1KDM4EMGAM
SCHEMBL1348394 0.87 GAA (0.47) ALDH1A1KMT2AMEN1KDM4EMGAM
SCHEMBL24190542 0.83 KMT2A (0.50) ALDH1A1KMT2AMEN1KDM4EMGAM
SCHEMBL9263418 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1KDM4EMGAM
SCHEMBL1568667 0.80 DGAT1 (0.49) ALDH1A1KMT2AMEN1KDM4EMGAM
SCHEMBL1349347 0.80 MGAM (0.47) ALDH1A1KMT2AMEN1KDM4EMGAM
SCHEMBL1931504 0.80 NLRP3 (0.55) ALDH1A1KMT2AMEN1KDM4EMGAM
SCHEMBL22914551 0.80 NR1H2 (0.50) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL5502158 0.79 MEN1 (0.43) ALDH1A1KMT2AMEN1KDM4EMGAM
SCHEMBL15864186 0.79 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1KDM4EMGAM

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