SCHEMBL7950277

SCHEMBL7950277

Cc1ccc(OP(F)Oc2ccc(C)cc2C2CCCCC2)c(C2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.55
PTGDR Q13258 6/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
PTGER2 P43116 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR1A P08908 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7950279 0.88 PTGDR2 (0.56) PTGDR2PTGDRNPC1RAB9ATP53
SCHEMBL11058526 0.87 PTGDR2 (0.57) PTGDR2PTGDRNPC1RAB9ATP53
SCHEMBL11811029 0.85 PTGDR2 (0.55) PTGDR2PTGDRNPC1RAB9ATP53
SCHEMBL7950282 0.82 PTGDR2 (0.53) PTGDR2PTGDRNPC1RAB9ATP53
SCHEMBL10350763 0.82 PTGDR2 (0.61) PTGDR2PTGDRNPC1RAB9ATP53
SCHEMBL7638507 0.82 PTGDR2 (0.40) PTGDR2
SCHEMBL10534970 0.80 PTGDR2 (0.60) PTGDR2PTGDRNPC1RAB9ATP53
SCHEMBL11164868 0.78 PTGDR2 (0.57) PTGDR2NPC1RAB9ATP53CASP1
SCHEMBL10413822 0.77 PTGDR2 (0.50) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL9514060 0.77 PTGDR2 (0.50) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A

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