SCHEMBL2867966

SCHEMBL2867966

CCCCOc1cccc(OOc2ccccc2)c1CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR1B P28222 2/20 0.40
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
DRD2 P14416 2/20 0.40
HTR1A P08908 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
ESR1 P03372 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL2862519 0.86 KMT2A (0.43) LTA4HCYP1A2CYP2C9CYP2C19LTB4R
SCHEMBL27968028 0.85 CYP1A2 (0.55) LTA4HCYP1A2CYP2C9CYP2C19HTR1B
SCHEMBL2860918 0.82 CNR1 (0.41) LTA4HHPGDCNR1MAPK1HTT
SCHEMBL28890609 0.79 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19LTB4RLTB4R2
SCHEMBL2858604 0.78 CNR1 (0.46) CNR1
SCHEMBL2857412 0.77 CNR1 (0.47) CNR1
SCHEMBL11666706 0.75 CNR1 (0.53) CYP1A2CYP2C9CYP2C19LTB4RLTB4R2
SCHEMBL2865553 0.74 ALDH1A1 (0.43) LTA4HCYP1A2CYP2C19DRD2HTR1A
SCHEMBL10355485 0.74 CNR1 (0.56) CYP1A2CYP2C9CYP2C19LTB4RLTB4R2
SCHEMBL28357821 0.74 CYP1A2 (0.64) LTA4HCYP1A2CYP2C9CYP2C19MAPT

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-7713449-B2 Polymer electrolytic material, polymer electrolytic part, membrane electrode assembly, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2010-05-11 US disclosed
CN-100364160-C Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES (JP) 2008-01-23 CN disclosed
US-20060180796-A1 Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES, INC. (JP) 2006-08-17 US disclosed
EP-1619735-A1 POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE PART, MEMBRANE ELECTRODE COMPOSITE AND POLYMER ELECTROLYTE TYPE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2006-01-25 EP disclosed