SCHEMBL6235719

SCHEMBL6235719

CC(C)(C)OC(N)=O.CCSCc1ncccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
PPARG P37231 3/20 0.31
PPARA Q07869 3/20 0.31
ACSS2 Q9NR19 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KIF11 P52732 2/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARD Q03181 2/20 0.30
METAP1 P53582 1/20 0.30

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
SCHEMBL28741053 0.84 L3MBTL1 (0.41) PPARGPPARAKDM4EMAPTKMT2A
SCHEMBL6235707 0.80 IDO1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6244422 0.76 PPARG (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6235701 0.74 ALDH1A1 (0.39) PPARGPPARAKDM4EMAPTPPARD
SCHEMBL6233939 0.74 KIF11 (0.44) KIF11
SCHEMBL6244417 0.73 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6235712 0.71 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6238584 0.70 ALDH1A1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3091847 0.70 IDO1 (0.41) KDM4EMAPTKMT2A
SCHEMBL3068314 0.68 GBA1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3

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-1222194-B1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF TRINE PHARMACEUTICALS INC (US) 2005-06-15 EP disclosed
US-6723716-B1 BACTERICIDE FOR STAPHYLOCOCCUS ESSENTIAL THERAPEUTICS, INC. 2004-04-20 US disclosed
EP-1222194-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF Essential Therapeutics, Inc. (US) 2002-07-17 EP disclosed
WO-2001021623-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF ESSENTIAL THERAPEUTICS, INC. (US) 2001-03-29 WO disclosed