SCHEMBL11297633

SCHEMBL11297633

Brc1ccc(OCc2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.63
PTGER1 P34995 3/20 0.56
USP28 Q96RU2 1/20 0.55
USP25 Q9UHP3 1/20 0.55
HTT P42858 2/20 0.53
CCR5 P51681 6/20 0.52
SLC6A4 P31645 1/20 0.52
MAOB P27338 1/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 1/20 0.51
C5AR1 P21730 1/20 0.51
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.48
PTPN1 P18031 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL17049367 0.91 CCR5 (0.56) PTGDR2PTGER1USP28USP25HTT
SCHEMBL5690733 0.90 PTGER1 (0.53) PTGDR2PTGER1USP28USP25HTT
SCHEMBL1355002 0.85 PTGDR2 (0.52) PTGDR2PTGER1USP28USP25HTT
SCHEMBL31644088 0.82 SLC6A4 (0.66) PTGER1USP28USP25HTTCCR5
SCHEMBL368071 0.82 SLC6A4 (0.66) PTGER1USP28USP25HTTCCR5
SCHEMBL1783946 0.82 PTGER1 (0.61) PTGDR2PTGER1
SCHEMBL9067356 0.81 PTGDR2 (0.65) PTGDR2PTGER1USP28USP25HTT
SCHEMBL30835101 0.81 RAB9A (0.59) PTGER1USP28USP25HTTCCR5
SCHEMBL7898169 0.81 RAB9A (0.59) PTGER1USP28USP25HTTCCR5
SCHEMBL30835001 0.80 CCR5 (0.55) PTGER1USP28USP25HTTCCR5

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
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO disclosed