SCHEMBL7934243

SCHEMBL7934243

CC(=O)N[C@@H](CS)C(=O)OC(=O)[C@@H](N)CS

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTGS1 P23219 2/20 0.36
SLC7A11 Q9UPY5 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ACE P12821 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
GSTK1 Q9Y2Q3 1/20 0.31

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
SCHEMBL9133392 0.91 KDM4E (0.46) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7999598 0.89 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5599294 0.89 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7999610 0.89 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL663171 0.84 KDM4E (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6815850 0.83 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9388226 0.82 KDM4E (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7646224 0.81 KDM4E (0.53) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5419035 0.80 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28017821 0.80 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9894946-B2 Method for modifying the surface of an elastomer product SEMPERIT AKTIENGESELLSCHAFT HOLDING (AT) 2018-02-20 US disclosed
US-20160029626-A1 CYSTEINE AMINO-ACID COMPOUND (OR ITS ANALOGUES) USED IN THE DISRUPTION OF MICROBIAL BIOFILMS WHEN TREATING OR PREVENTING DISEASES CAUSED BY PHYTOPATHOGENIC BACTERIA KNOWN TO ATTACK PLANTS OF AGRICULTURAL INTEREST INSTITUTO AGRONOMICO DE CAMPINAS - IAC (BR) 2016-02-04 US disclosed
US-20140096307-A1 METHOD FOR MODIFYING THE SURFACE OF AN ELASTOMER PRODUCT SEMPERIT AKTIENGESELLSCHAFT HOLDING (AT) 2014-04-10 US disclosed
US-20140024857-A1 CYSTEINE AMINO-ACID COMPOUND (OR ITS ANALOGUES) USED IN THE DISRUPTION OF MICROBIAL BIOFILMS WHEN TREATING OR PREVENTING DISEASES CAUSED BY PHYTOPATHOGENIC BACTERIA KNOWN TO ATTACK PLANTS OF AGRICULTURAL INTEREST INSTITUTO AGRONOMICO DE CAMPINAS - IAC (BR) 2014-01-23 US disclosed
WO-2012129621-A1 CYSTEINE AMINO-ACID COMPOUND (OR ITS ANALOGUES) USED IN THE DISRUPTION OF MICROBIAL BIOFILMS WHEN TREATING OR PREVENTING DISEASES CAUSED BY PHYTOPATHOGENIC BACTERIA KNOWN TO ATTACK PLANTS OF AGRICULTURAL INTEREST INSTITUTO AGRONÔMICO DE CAMPINAS - IAC (BR) 2012-10-04 WO disclosed
US-6239301-B1 USING A CYSTEINE DERIVATIVE ZAMBON GROUP S.P.A. (IT) 2001-05-29 US disclosed