SCHEMBL7262172

SCHEMBL7262172

CCC(Oc1ccc(C(=O)OC)cc1)Oc1ccc(C(=O)OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
RAB9A P51151 3/20 0.51
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
NPC1 O15118 2/20 0.49
STS P08842 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
STAT3 P40763 1/20 0.47

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
SCHEMBL7256618 0.94 KMT2A (0.53) CA1CA2MAPTSMN1; SMN2MEN1
SCHEMBL12948471 0.94 MAPT (0.51) CA1CA2MAPTSMN1; SMN2MEN1
SCHEMBL4686240 0.84 SMN1; SMN2 (0.61) CA1CA2MAPTSMN1; SMN2MEN1
SCHEMBL5061591 0.84 CA1 (0.56) CA1CA2MAPTSMN1; SMN2MEN1
SCHEMBL28827921 0.84 SMN1; SMN2 (0.61) CA1CA2MAPTSMN1; SMN2MEN1
SCHEMBL478510 0.81 KMT2A (0.63) CA1CA2MAPTKMT2ATSHR
SCHEMBL11946585 0.81 CA1 (0.53) CA1CA2MAPTSMN1; SMN2MEN1
SCHEMBL2363101 0.80 MAPT (0.44) CA1CA2MAPTSMN1; SMN2MEN1
SCHEMBL6548631 0.79 CA1 (0.64) CA1CA2MAPTSMN1; SMN2MEN1
SCHEMBL1854840 0.79 KMT2A (0.66) CA1CA2MAPTSMN1; SMN2MEN1

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
WO-2003040120-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE ISP INVESTMENTS INC. (US) 2003-05-15 WO disclosed