SCHEMBL7681986

SCHEMBL7681986

CC(=O)OCc1ccc2oc(=O)c(C(=O)Oc3cc(F)ccc3[N+](=O)[O-])cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46
CA6 P23280 2/20 0.46
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.45
F2 P00734 5/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7681261 0.90 POLB (0.55) POLBCA12CA9CA2CA3
SCHEMBL7675773 0.88 F2 (0.59) POLBCA12CA9CA2CA3
SCHEMBL7679497 0.86 CA12 (0.51) POLBCA12CA9CA2CA3
SCHEMBL7676641 0.85 F12 (0.50) POLBCA12CA9CA2CA3
SCHEMBL7679354 0.85 CA12 (0.49) POLBCA12CA9CA2CA3
SCHEMBL7682533 0.82 MEN1 (0.60) POLBMAOAMAOBMEN1KMT2A
SCHEMBL14642387 0.80 F2 (0.58) POLBCA12CA9CA2CA3
SCHEMBL18752250 0.80 CA12 (0.56) POLBCA12CA9CA2CA3
SCHEMBL18752273 0.79 MEN1 (0.56) POLBCA12CA9CA2CA3
SCHEMBL18752216 0.78 CA12 (0.56) POLBCA12CA9CA2CA3

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-6355658-B1 COUMARIN ESTERS WITH ETHER GROUPS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-03-12 US disclosed