SCHEMBL18012808

SCHEMBL18012808

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HDAC3 O15379 3/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC2 Q92769 3/20 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
▸ ALDH1A1 P00352 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ F2 P00734 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
SCHEMBL27584898 0.92 MAPT (0.37) MAPTTP53HDAC3HDAC1HDAC2
SCHEMBL18012795 0.89 HDAC3 (0.36) MAPTTP53HDAC3HDAC1HDAC2
SCHEMBL27880402 0.87 PARP1 (0.43) MAPTTP53HDAC3HDAC1HDAC2
SCHEMBL21551833 0.86 MAPT (0.38) MAPTALDH1A1HPGDTSHRATM
SCHEMBL18235863 0.85 PDK2 (0.45) MAPTPDK2L3MBTL1SMN1; SMN2
SCHEMBL1793318 0.85 THRA (0.45) MAPTTP53HDAC3HDAC1HDAC2
SCHEMBL29466113 0.84 NPC1 (0.37) MAPTTP53PDK2KMT2AMEN1
SCHEMBL1041099 0.84 NPC1 (0.37) MAPTTP53PDK2KMT2AMEN1
SCHEMBL28656781 0.83 HDAC3 (0.39) MAPTTP53HDAC3HDAC1HDAC2
SCHEMBL21551956 0.82 MAPT (0.39) MAPTALDH1A1HPGDTSHRATM

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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