SCHEMBL27724166

SCHEMBL27724166

CC(C)OC(=O)c1ccc2c(c1)CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
SRD5A1 P18405 1/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
TRPA1 O75762 1/20 0.48
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL14258774 0.82 KMT2A (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL883530 0.81 ALDH1A1 (0.61) ALDH1A1CA12CA1CA2CA7
SCHEMBL30782287 0.80 MELK (0.49) CA12CA1CA2CA7CA9
SCHEMBL27137191 0.80 MELK (0.49) CA12CA1CA2CA7CA9
SCHEMBL12376834 0.79 KMT2A (0.51) ALDH1A1CA12CA1CA2CA7
SCHEMBL24169997 0.78 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL12376831 0.78 KMT2A (0.45) ALDH1A1CA12CA1CA2CA7
SCHEMBL9667044 0.77 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL31544703 0.77 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL2633409 0.77 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101318887-B Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND 2011-03-23 CN claimed
CN-101318887-A Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND (CN) 2008-12-10 CN claimed
CN-101318887-B Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND 2011-03-23 CN disclosed
CN-101318887-A Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND (CN) 2008-12-10 CN disclosed