SCHEMBL6693093

SCHEMBL6693093

CCCC(NC(C)=O)C(C)=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PLA2G2C Q5R387 2/20 0.35
CHRM1 P11229 2/20 0.34

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
SCHEMBL6692887 0.88 SIRT6 (0.46) NFKB1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL6696667 0.86 SIRT6 (0.53) NFKB1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL7436963 0.85 SMN1; SMN2 (0.45) NFKB1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL11382604 0.85 SMN1; SMN2 (0.45) NFKB1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL9802122 0.83 SIRT6 (0.40) NFKB1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL12661040 0.82 NFKB1 (0.45) NFKB1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL14111179 0.82 NFKB1 (0.45) NFKB1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL3914279 0.82 SMN1; SMN2 (0.45) NFKB1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL11149076 0.82 KDM4E (0.38) NFKB1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL16748603 0.80 MAPT (0.59) NFKB1SMN1; SMN2KDM4EMAPTTHRB

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
US-6740684-B2 FORMING OXYGEN AND METAL RESISTANT CATALYST FOR PRODUCTION OF BISPHENOL A; PARTIALLY NEUTRALIZING WITH ALKYLCARBAMOYL ALKYLTHIOESTER DOW GLOBAL TECHNOLOGIES INC. 2004-05-25 US disclosed
EP-1381463-A2 PROCESS FOR PRODUCING A STRONG-ACID CATION EXCHANGE RESIN DOW GLOBAL TECHNOLOGIES INC. (US) 2004-01-21 EP disclosed
US-20030212151-A1 Process for producing a strong-acid cation exchange resin DOW CHEMICAL COMPANY, THE 2003-11-13 US disclosed
WO-2002024335-A2 PROCESS FOR PRODUCING A STRONG-ACID CATION EXCHANGE RESIN DOW GLOBAL TECHNOLOGIES INC. (US) 2002-03-28 WO disclosed