SCHEMBL1995982

SCHEMBL1995982

CCCCc1ccccc1-c1ccc(OPOc2ccc(-c3ccccc3CCCC)c(-c3ccccc3)c2-c2ccccc2CCCC)c(-c2ccccc2CCCC)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.34
NR1H2 P55055 1/20 0.34
ELANE P08246 3/20 0.34
CTSG P08311 2/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 1/20 0.33
DHFR P00374 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GCGR P47871 2/20 0.32
PSMB5 P28074 1/20 0.32
DCTPP1 Q9H773 1/20 0.31
DPP4 P27487 1/20 0.31
PTPN1 P18031 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 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
SCHEMBL1997516 0.81 PPARA (0.37) NR1H3NR1H2ELANECTSGPPARA
SCHEMBL1904401 0.80 PSMB5 (0.40) ESR1ESR2PSMB5
SCHEMBL500197 0.76 ELANE (0.36) ELANECTSGPPARADHFRESR1
SCHEMBL10832310 0.72 THRA (0.45) PPARAALOX5PTGS2
SCHEMBL7707046 0.72 DPP4 (0.44) NR1H3NR1H2PPARAPSMB5DPP4
SCHEMBL367335 0.72 DPP4 (0.52) NR1H3NR1H2PPARAPSMB5DPP4
SCHEMBL1834116 0.72 PPARA (0.44) ELANECTSGPPARAKDM4EALOX5
SCHEMBL1997519 0.72 ALOX5 (0.39) ELANECTSGPPARAKDM4EGCGR
SCHEMBL2701240 0.72 LIPG (0.50) NR1H3NR1H2ELANECTSGPPARA
Ethane SCHEMBL1275986 0.70 DPP4 (0.50) NR1H3NR1H2PPARAPSMB5DPP4

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