SCHEMBL8772665

SCHEMBL8772665

[CH2]CCc1cc(OC)c(OC)c(OCCCCCCCCC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
PTGS2 P35354 1/20 0.46
ALOX5 P09917 3/20 0.43
AOC3 Q16853 2/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43

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
SCHEMBL8772750 0.91 HTR2A (0.47) HTR2AHTR2CHTR2B
SCHEMBL5267521 0.88 THRA (0.44) PTGS2
SCHEMBL5268536 0.88 THRA (0.44) PTGS2
SCHEMBL5270274 0.88 THRA (0.44) PTGS2
SCHEMBL5269989 0.88 THRA (0.44) PTGS2
SCHEMBL5269693 0.88 THRA (0.44) PTGS2
SCHEMBL5266156 0.88 THRA (0.44) PTGS2
SCHEMBL5269963 0.88 THRA (0.44) PTGS2
SCHEMBL5266692 0.88 THRA (0.44) PTGS2
SCHEMBL5266842 0.88 THRA (0.44) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801071-A1 LEWIS X DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-15 EP disclosed