SCHEMBL9942280

SCHEMBL9942280

CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].[Ir+3].c1ccc(-c2cc3ccccc3s2)nc1.c1ccc(-c2cc3ccccc3s2)nc1.c1ccc(-c2cc3ccccc3s2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 7/20 0.43
▸ CHUK O15111 4/20 0.43
▸ IKBKG Q9Y6K9 4/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ STAT6 P42226 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ STK17B O94768 1/20 0.39

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
SCHEMBL18393502 1.00 IKBKB (0.43) IKBKBCHUKIKBKGCYP19A1HDAC3
SCHEMBL4612312 0.98 IKBKB (0.43) IKBKBCHUKIKBKGCYP19A1HDAC3
Acetoacetic Acid SCHEMBL27249029 0.92 IKBKB (0.44) IKBKBCHUKIKBKGCYP19A1HDAC3
SCHEMBL6419090 0.89 IKBKB (0.47) IKBKBCHUKIKBKGCYP19A1HDAC3
SCHEMBL49937 0.89 IKBKB (0.47) IKBKBCHUKIKBKGCYP19A1HDAC3
Acetone SCHEMBL4452299 0.81 CYP19A1 (0.52) IKBKBCHUKIKBKGCYP19A1HDAC3
SCHEMBL29675208 0.81 CYP19A1 (0.59) IKBKBCHUKIKBKGCYP19A1CYP11B1
SCHEMBL30103498 0.81 CYP19A1 (0.59) IKBKBCHUKIKBKGCYP19A1CYP11B1
SCHEMBL403651 0.79 CYP19A1 (0.60) IKBKBCHUKIKBKGCYP19A1CYP11B1
SCHEMBL29415478 0.79 CYP19A1 (0.60) IKBKBCHUKIKBKGCYP19A1CYP11B1

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-2652810-A2 RADIATION-EMITTING ORGANIC-ELECTRONIC DEVICE AND METHOD FOR THE PRODUCTION THEREOF OSRAM Opto Semiconductors GmbH (DE) 2013-10-23 — — EP disclosed
WO-2012080267-A2 RADIATION-EMITTING ORGANIC-ELECTRONIC DEVICE AND METHOD FOR THE PRODUCTION THEREOF OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2012-06-21 — — WO disclosed
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