SCHEMBL11503333

SCHEMBL11503333

CC(=O)NC(COC(C)=O)C1=CC2(CCCC2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
KMT2A Q03164 2/20 0.32
HDAC4 P56524 2/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
NPC1 O15118 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CACNA1C Q13936 1/20 0.30
SCN9A Q15858 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL11295491 0.76 MTNR1A (0.36) MTNR1AMTNR1BHDAC4
SCHEMBL11472591 0.73 SLC6A4 (0.33) HDAC4
SCHEMBL11544999 0.70 AKR1C1 (0.37) KMT2AHDAC4NPC1
SCHEMBL11291104 0.70 SMN1; SMN2 (0.42) MTNR1AMTNR1BKMT2AHDAC4NPC1
SCHEMBL11294472 0.69 HDAC4 (0.35) HDAC4
SCHEMBL11548754 0.69 HDAC4 (0.35) HDAC4
SCHEMBL5127639 0.69 LMNA (0.48) MTNR1AMTNR1BKMT2A
SCHEMBL11295572 0.68 LMNA (0.37) KMT2AHDAC4
SCHEMBL31452460 0.68 SLC6A4 (0.34) KMT2A
SCHEMBL11288858 0.68 SLC6A4 (0.34) KMT2A

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-0000825-A1 Geminally disubstituted indene derivatives, processes for their preparation and pharmaceutical compositions containing them Kabi AB (SE) 1979-02-21 EP disclosed