SCHEMBL11089334

SCHEMBL11089334

CCCCCCCCCC(C)c1cc(Br)cc(OC)c1.CCCCCCCCCC(C)c1cc(N)cc(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
SLC2A1 P11166 1/20 0.32
MMP9 P14780 4/20 0.32
MMP13 P45452 4/20 0.32
ADAM17 P78536 4/20 0.32
MMP1 P03956 4/20 0.32
PTGS2 P35354 1/20 0.31
HTR1A P08908 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL10474112 0.92 TSHR (0.39) TSHRHTR2ASPHK1GPR84SLC2A1
SCHEMBL10474929 0.92 GPR84 (0.36) HTR2AGPR84SLC2A1MMP9MMP13
SCHEMBL10472795 0.86 IDO1 (0.35) HTR2AGPR84MMP9MMP13MMP1
SCHEMBL20802184 0.82 GPR84 (0.41) HTR2AGPR84SLC2A1MMP9MMP13
SCHEMBL9079558 0.82 GPR84 (0.41) HTR2AGPR84SLC2A1MMP9MMP13
SCHEMBL21726743 0.79 GPR84 (0.39) SPHK1GPR84SLC2A1
SCHEMBL10474311 0.76 USP2 (0.36) HTR2ASPHK1GPR84PTGS2
SCHEMBL10474251 0.76 PTGS2 (0.40) TSHRHTR2AGPR84PTGS2HTR1A
SCHEMBL11089326 0.73 PTGS2 (0.54) HTR2AGPR84PTGS2
SCHEMBL10473607 0.73 MMP1 (0.42) HTR2AMMP1MMP2MMP3

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
US-4473704-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-09-25 US disclosed