SCHEMBL4119359

SCHEMBL4119359

CC(C)C(C(=O)O)C1=CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CTSK P43235 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
MEN1 O00255 2/20 0.32
ACMSD Q8TDX5 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 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
SCHEMBL988375 0.81 PTGS1 (0.39) KMT2AMAPK1HDAC4HDAC2HDAC8
SCHEMBL11615938 0.79 PTGS1 (0.38) KMT2AMAPK1HDAC4HDAC2HDAC8
SCHEMBL10171591 0.79 HDAC4 (0.38) KMT2AMAPK1HDAC4HDAC2HDAC8
SCHEMBL2919621 0.76 HDAC4 (0.39) KMT2AMAPK1HDAC4HDAC2HDAC8
SCHEMBL9623341 0.75 PTGS1 (0.36) KMT2AMAPK1HDAC4HDAC2HDAC8
SCHEMBL11860381 0.74 ACMSD (0.48) HDAC2AKR1C3AKR1C2ACMSD
SCHEMBL3503463 0.73 HDAC4 (0.37) KMT2AMAPK1HDAC4HDAC2HDAC8
SCHEMBL8045674 0.73 HDAC4 (0.37) KMT2AMAPK1HDAC4HDAC2HDAC8
SCHEMBL9847807 0.73 KMT2A (0.44) KMT2AMAPK1HDAC4HDAC2HDAC8
SCHEMBL987087 0.73 KMT2A (0.44) KMT2AMAPK1HDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9358191-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-07 US disclosed
US-20140271522-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-09-18 US disclosed
US-8778320-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-07-15 US disclosed
EP-1561476-B1 DEODORANT COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2014-02-12 EP disclosed
US-20130136713-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-30 US disclosed
US-20090087401-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-04-02 US disclosed
US-20060165622-A1 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-27 US disclosed
EP-1561476-A1 DEODORANT COMPOSITION Takasago International Corporation (JP) 2005-08-10 EP disclosed