SCHEMBL7679485

SCHEMBL7679485

Cc1ccc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.69
F12 P00748 3/20 0.63
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CA12 O43570 2/20 0.51
CA2 P00918 2/20 0.51
CA3 P07451 2/20 0.51
CA6 P23280 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA5B Q9Y2D0 2/20 0.51
CA4 P22748 1/20 0.51
CA5A P35218 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL18607531 0.86 F2 (0.79) F2F12MEN1KMT2ACA12
SCHEMBL7679808 0.84 F2 (0.76) F2F12CA12CA2CA3
SCHEMBL18752257 0.84 F2 (0.72) F2F12MEN1KMT2ACA12
SCHEMBL18752376 0.84 F2 (0.76) F2F12MEN1KMT2ACA12
SCHEMBL7681997 0.83 F2 (0.68) F2F12MEN1KMT2ACA12
SCHEMBL14642291 0.82 F2 (0.81) F2F12MEN1KMT2ACA12
SCHEMBL14642390 0.82 F2 (0.70) F2F12MEN1KMT2ACA12
SCHEMBL14642551 0.81 F2 (0.79) F2F12MEN1KMT2ACA12
SCHEMBL14642286 0.81 F2 (1.00) F2F12MEN1KMT2ACA12
SCHEMBL18607529 0.81 F2 (0.78) F2F12CA12CA2CA3

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