SCHEMBL9199769

SCHEMBL9199769

CCCCc1ncnc(OCc2ccc(C(=O)OC)cc2)c1Cc1ccc(-c2ccccc2)c(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
EGFR P00533 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NR1H2 P55055 1/20 0.37
DHFR P00374 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37

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
SCHEMBL9195058 0.90 LTB4R2 (0.40) AGTR1AGTR2
SCHEMBL8979764 0.90 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8979830 0.80 LTB4R2 (0.46) AGTR1AGTR2
SCHEMBL9540780 0.77 PTPN11 (0.46) AGTR1AGTR2
SCHEMBL9200830 0.74 RNASEH1 (0.46)
SCHEMBL9199993 0.74 RNASEH1 (0.44) AGTR1AGTR2
SCHEMBL9198030 0.73 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9199623 0.72 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9199691 0.71 ACHE (0.39) AGTR1AGTR2
SCHEMBL8979766 0.71 AGTR1 (0.51) AGTR1AGTR2

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-0641329-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.p.A. (IT) 1995-03-08 EP disclosed