SCHEMBL9517481

SCHEMBL9517481

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(O[PH](=O)O)c1cc(CCCC)c(O)c(CCCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.40
PTGS2 P35354 4/20 0.40
EGFR P00533 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TYR P14679 3/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR1 P21554 4/20 0.33
CNR2 P34972 4/20 0.33
MAOA P21397 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
GGPS1 O95749 1/20 0.32

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
SCHEMBL98335 0.81 NR5A2 (0.40) TYRMEN1CYP3A4MAPTTSHR
SCHEMBL526402 0.80 CNR2 (0.38) TP53CYP3A4MAPTALOX15TSHR
SCHEMBL697804 0.78 CYP1A2 (0.39) ESR1ESR2CNR1CNR2
SCHEMBL11408194 0.76 GAA (0.38) TSHRCNR1CNR2GGPS1
SCHEMBL11423200 0.74 KIF11 (0.38) TSHRTDP1GGPS1
SCHEMBL4816996 0.72 GGPS1 (0.44) ALOX5PTGS2ESR1ESR2GGPS1
SCHEMBL15067330 0.72 EGFR (0.36) ALOX5PTGS2EGFR
SCHEMBL11803252 0.72 CNR1 (0.42) ESR1ESR2CNR1CNR2NR1H4
SCHEMBL11805620 0.72 CNR1 (0.42) ESR1ESR2CNR1CNR2NR1H4
SCHEMBL11766861 0.70 EGFR (0.44) ALOX5PTGS2EGFRTYRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328714-B1 STABILIZED OXYMETHYLENE COPOLYMER COMPOSITION Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1993-05-12 EP disclosed
EP-0328714-A1 Stabilized oxymethylene copolymer composition Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-08-23 EP disclosed
US-4792579-A ALKALINE EARTH METAL SALT OF AN ESTER OF A TRIBASIC INORGANIC ACID OF AN ORGANIC CARBOXYLIC ACID MONOESTER OF AN ALCOHOL HAVING TWO OR MORE HYDROXYL GROUPS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-12-20 US disclosed