SCHEMBL18012795

SCHEMBL18012795

CCCCC1(CCCC)c2cc(Br)ccc2-c2ccc(C(=O)CC(C)=O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.36
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC2 Q92769 4/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ OGG1 O15527 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PDK2 Q15119 2/20 0.33
▸ SRD5A1 P18405 1/20 0.33

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
SCHEMBL18012808 0.89 MAPT (0.38) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL27880402 0.84 PARP1 (0.43) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL28656781 0.82 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL18012792 0.82 SMN1; SMN2 (0.41) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL1793318 0.82 THRA (0.45) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL18012751 0.81 HDAC3 (0.41) HDAC3HDAC1HDAC2MAPTMEN1
SCHEMBL29466113 0.81 NPC1 (0.37) TP53MAPTMEN1KMT2APOLB
SCHEMBL1041099 0.81 NPC1 (0.37) TP53MAPTMEN1KMT2APOLB
SCHEMBL27584898 0.81 MAPT (0.37) HDAC3HDAC1HDAC2TP53MAPT
SCHEMBL5537096 0.80 RAB9A (0.40) HDAC3HDAC1HDAC2OGG1ALDH1A1

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
WO-2016126070-A1 NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 한국화학연구원 2016-08-11 — — WO disclosed
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