SCHEMBL13633676

SCHEMBL13633676

COc1ccc(/C=C/c2ccc3c(c2)c(C(=O)Oc2c(C)cc(C(=O)O)cc2C)c2ccccc2[n+]3CCCCS(=O)(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SNCA P37840 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32

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
SCHEMBL4186120 1.00 PKM (0.36) PKMKDM4ENPC1RAB9ASNCA
SCHEMBL4193149 0.91 NPC1 (0.35) PKMKDM4ENPC1RAB9ASNCA
SCHEMBL13633578 0.91 NPC1 (0.35) PKMKDM4ENPC1RAB9ASNCA
SCHEMBL3043225 0.89 HPGD (0.37) KDM4ENPC1RAB9ATUBB4ATUBB
SCHEMBL13633573 0.88 TTR (0.31) PKMMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4191463 0.88 MEN1 (0.31) MEN1KMT2AALDH1A1POLB
SCHEMBL13633610 0.88 MEN1 (0.31) MEN1KMT2AALDH1A1POLB
SCHEMBL4185433 0.88 TTR (0.35) PKMMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4178411 0.87 NPC1 (0.35) PKMKDM4ENPC1RAB9ASNCA
SCHEMBL3042292 0.86 HPGD (0.39) KDM4ENPC1RAB9AMEN1KMT2A

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-7611909-B1 Acridinium compound for use in the concurrent detection of target analytes in immunoassays or nucleic acid assays SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-11-03 US disclosed