SCHEMBL7950282

SCHEMBL7950282

Cc1ccc(OP(O)OF)c(C2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.53
PTGDR Q13258 7/20 0.37
PTGER2 P43116 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL7950279 0.86 PTGDR2 (0.56) PTGDR2PTGDRPTGER2NPC1RAB9A
SCHEMBL7950277 0.82 PTGDR2 (0.55) PTGDR2PTGDRPTGER2NPC1RAB9A
SCHEMBL11058526 0.82 PTGDR2 (0.57) PTGDR2PTGDRPTGER2NPC1RAB9A
SCHEMBL11811029 0.81 PTGDR2 (0.55) PTGDR2PTGDRPTGER2NPC1RAB9A
SCHEMBL10350763 0.77 PTGDR2 (0.61) PTGDR2PTGDRPTGER2NPC1RAB9A
SCHEMBL10534970 0.76 PTGDR2 (0.60) PTGDR2PTGDRNPC1RAB9AKDM4E
SCHEMBL11164868 0.74 PTGDR2 (0.57) PTGDR2NPC1RAB9AKDM4EALDH1A1
SCHEMBL7950329 0.74 TP53 (0.38) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL14775412 0.74 PTGDR2 (0.66) PTGDR2PTGDRPTGER2NPC1RAB9A
SCHEMBL27455543 0.73 PTGDR2 (0.54) PTGDR2PTGDRPTGER2NPC1RAB9A

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-6231804-B1 USED FOR HOLLOW CONTAINERS, A FILM, A SHEET, A PIPE, FIBER AND MOLDING;A BLEND OF HIGH MOLECULAR WEIGHT POLYETHYLENE COPOLYMER,AN OLEFIN HOMO OR COPLYMER CHISSO CORPORATION (JP) 2001-05-15 US disclosed
EP-0972800-A1 MODIFIED OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PREPARING THE SAME, AND MODIFIED OLEFIN (CO)POLYMER COMPOSITION MOLDING CHISSO CORPORATION (JP) 2000-01-19 EP disclosed