SCHEMBL3840588

SCHEMBL3840588

O=C(O)Oc1c[nH]c2ccc3c(c2c1=O)CCS3(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3873964 0.74 VEGFA (0.34)
SCHEMBL10366863 0.68 KDM4E (0.37) CYP1A2HSD17B10
SCHEMBL3840992 0.66 HSD17B10 (0.35) CYP1A2HSD17B10
SCHEMBL3840526 0.66 HSD17B10 (0.38) CYP1A2HSD17B10
SCHEMBL3817059 0.63 SLC22A6 (0.57)
SCHEMBL3836798 0.63 SMN1; SMN2 (0.35) CYP1A2HSD17B10
SCHEMBL18204018 0.62 P2RX7 (0.40) CYP1A2HSD17B10
SCHEMBL8126388 0.62 KDM4E (0.67) HSD17B10
SCHEMBL19278763 0.60 CYP1A2 (0.35) CYP1A2HSD17B10
SCHEMBL18203885 0.60 P2RX7 (0.42) CYP1A2HSD17B10

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-1833830-B1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME BAYER SCHERING PHARMA AG (DE) 2009-10-14 EP disclosed