SCHEMBL3682129

SCHEMBL3682129

CC(C)(Cl)C(=O)c1ccc(CCc2ccc(C(=O)C(C)(C)Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.40
HDAC1 Q13547 1/20 0.40
THRB P10828 3/20 0.40
THRA P10827 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ESRRG P62508 3/20 0.39
ESRRB O95718 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RARB P10826 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MLYCD O95822 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL480674 0.88 KMT2A (0.54) PLK1HDAC1THRBTHRAALDH1A1
SCHEMBL27627345 0.86 ALDH1A1 (0.55) PLK1ALDH1A1POLBGAAL3MBTL1
SCHEMBL10710485 0.84 THRA (0.62) THRBTHRAALDH1A1KMT2ARARB
SCHEMBL12535868 0.84 IDO1 (0.40) THRBTHRAALDH1A1KDM4EPOLB
SCHEMBL10946280 0.81 LMNA (0.59) ALDH1A1KMT2AL3MBTL1MLYCD
SCHEMBL17338720 0.81 HDAC1 (0.41) HDAC1ALDH1A1POLBKMT2AL3MBTL1
SCHEMBL3687860 0.81 PLK1 (0.41) PLK1HDAC1THRBTHRAALDH1A1
SCHEMBL4421929 0.80 ALDH1A1 (0.48) ALDH1A1
SCHEMBL29904486 0.79 THRB (0.40) PLK1THRBTHRAALDH1A1KDM4E
SCHEMBL10710376 0.78 CA2 (0.53) HDAC1ALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523506-B1 NEW DIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2012-09-12 EP disclosed
US-7723397-B2 ethylenically unsaturated aminoacrylates; overprinting; for production of scratch-resistant durable surface CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-20050239971-A1 New difunctional photoinitators IGM GROUP B.V. (NL) 2005-10-27 US disclosed