SCHEMBL7675696

SCHEMBL7675696

CC(=O)OCc1ccc2oc(=O)c(C(=O)Oc3cc(Cl)cc(Cl)c3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CA12 O43570 2/20 0.53
CA2 P00918 2/20 0.53
CA3 P07451 2/20 0.53
CA6 P23280 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
CA4 P22748 1/20 0.53
CA5A P35218 1/20 0.52
F12 P00748 2/20 0.52
MAOB P27338 2/20 0.52

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
SCHEMBL7679312 0.91 F2 (0.61) F2MEN1KMT2ACA12CA2
SCHEMBL7675600 0.89 F2 (0.53) F2MEN1KMT2ACA12CA2
SCHEMBL7675596 0.86 F2 (0.77) F2MEN1KMT2ACA12CA2
SCHEMBL7678753 0.85 F2 (0.77) F2MEN1KMT2ACA12CA2
SCHEMBL14652703 0.84 F2 (0.60) F2MEN1KMT2ACA12CA2
Hydrochloric Acid SCHEMBL26633565 0.83 F2 (0.60) F2MEN1KMT2ACA12CA2
Hydrochloric Acid SCHEMBL26633562 0.83 F2 (0.60) F2MEN1KMT2ACA12CA2
Hydrochloric Acid SCHEMBL30629716 0.83 F2 (0.60) F2MEN1KMT2ACA12CA2
SCHEMBL18752546 0.83 F2 (0.58) F2MEN1KMT2ACA12CA2
SCHEMBL14642387 0.82 F2 (0.58) F2CA12CA2CA3CA6

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