SCHEMBL8996790

SCHEMBL8996790

COC(=O)c1ccc(C(=O)C2CNCCN2C(=O)c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.44
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
CA4 P22748 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 2/20 0.39
GPR183 P32249 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALOX15 P16050 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11590269 0.82 SIGMAR1 (0.53) CA1CA2CA9CA4
SCHEMBL14278251 0.78 MMP2 (0.46) CA1CA2CA9CA4ALDH1A1
SCHEMBL8222304 0.78 MMP2 (0.46) CA1CA2CA9CA4ALDH1A1
SCHEMBL8996816 0.77 EPHX1 (0.40) OPRD1ALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL8660373 0.74 SIGMAR1 (0.62) OPRD1ALDH1A1HPGDGPR183TDP1
SCHEMBL990488 0.74 CA1 (0.40) CA1CA2CA9CA4
SCHEMBL16466085 0.74 OPRD1 (0.44) OPRD1CA1CA2CA9ALDH1A1
SCHEMBL8498209 0.73 KMT2A (0.46) OPRD1ALDH1A1MGLL
Hydrochloric Acid SCHEMBL17559360 0.73 HPGD (0.63) OPRD1ALDH1A1HPGDGPR183ALOX15
SCHEMBL16466086 0.72 KMT2A (0.51) OPRD1CA1CA2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724568-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER PLC (GB) 1996-08-07 EP disclosed
WO-1995003275-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER N.V. (NL) 1995-02-02 WO disclosed