SCHEMBL7866061

SCHEMBL7866061

CCOC(=O)CCSCC(=O)CSCCC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 6/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.45
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TRPA1 O75762 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9509219 0.89 TSHR (0.51) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL111821 0.87 GAA (0.52) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL18736929 0.86 TSHR (0.49) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL8503864 0.86 TSHR (0.49) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL8506009 0.83 CYP1A2 (0.48) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL15948648 0.83 CYP1A2 (0.48) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL15360326 0.81 CYP1A2 (0.47) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL10973191 0.79 CYP1A2 (0.45) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL13901847 0.79 TDP1 (0.48) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL11712079 0.79 CYP1A2 (0.45) TSHRALDH1A1LMNAHTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874854-B1 CEPHALOSPORIN ANTIBIOTICS MICROCIDE PHARMACEUTICALS INC (US) 2001-12-12 EP disclosed
EP-1059293-A1 Novel amino chlorothiazole compounds Microcide Pharmaceuticals, Inc. (US) 2000-12-13 EP disclosed
US-6087355-A A THERAPEUTIC BACTERICIDE COMPOSITION FOR TREATING A METHICILLIN-RESISTANT, VANCOMYCIN-RESISTANT, OR AMPICILLIN-RESISTANT BACTERIAL INFECTION MICROCIDE PHARMACEUTICALS, INC. (US) 2000-07-11 US disclosed
US-6066630-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 2000-05-23 US disclosed
US-6057312-A TREATING ANTIBIOTIC RESISTANT BACTERIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-05-02 US disclosed
US-6030965-A WIDE SPECTRAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-02-29 US disclosed
US-6025352-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 2000-02-15 US disclosed
US-5859256-A CHLORINATION; USEFUL AS ANTIBACTERIAL AGENTS AND IN TREATING DISEASES CAUSED BY ORGANISMS WHICH ARE RESISTANT TO BETA-LACTAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-01-12 US disclosed