SCHEMBL1997519

SCHEMBL1997519

CCCCc1cccc(CCCC)c1-c1c(OPO)cccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
ELANE P08246 4/20 0.39
CTSG P08311 2/20 0.39
PPARA Q07869 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
PPARG P37231 1/20 0.36
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR8 Q9NR97 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
GCGR P47871 1/20 0.34
DPP4 P27487 1/20 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
SCHEMBL500197 0.86 ELANE (0.36) ALOX5PTGS2ELANECTSGPPARA
SCHEMBL1995983 0.83 PSMB5 (0.42) ELANECTSGKDM4EPTGER1PTGER4
SCHEMBL27866899 0.82 ALOX5 (0.39) ALOX5PTGS2ELANECTSGPPARA
SCHEMBL27997845 0.81 ELANE (0.39) ALOX5PTGS2ELANECTSGPPARA
SCHEMBL10832315 0.79 THRA (0.47) ALOX5PTGS2PPARAPPARGTLR8
SCHEMBL7707048 0.79 PDCD1 (0.44) ELANECTSGPPARAPDCD1CD274
Hydrogen Sulfide SCHEMBL28757775 0.77 PDCD1 (0.43) ELANECTSGPPARAPDCD1CD274
SCHEMBL1888009 0.77 HNF4A (0.38) KDM4EPDCD1CD274ALDH1A1DPP4
SCHEMBL1891798 0.77 ELANE (0.37) ALOX5PTGS2ELANECTSGPPARA
Bicarbonate SCHEMBL17473019 0.76 FOLH1 (0.44) ELANECTSGPPARAPDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969436-B2 Method of producing a molded article TEIJIN CHEMICALS, LTD. (JP) 2015-03-03 US disclosed
US-20110147992-A1 METHOD OF PRODUCING A MOLDED ARTICLE TEIJIN CHEMICALS, LTD. (JP) 2011-06-23 US disclosed