SCHEMBL3687860

SCHEMBL3687860

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ ESRRG P62508 3/20 0.40
▸ THRB P10828 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ESRRB O95718 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ THRA P10827 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ MLYCD O95822 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL27804776 0.91 THRB (0.41) PLK1HDAC1ESRRGTHRBHSD17B10
SCHEMBL154857 0.90 CYP4A11 (0.50) PLK1CYP4A11CA2
SCHEMBL1060928 0.90 PLK1 (0.55) PLK1THRBKMT2AL3MBTL1THRA
SCHEMBL9808692 0.88 TAAR1 (0.45) ESRRGKMT2AL3MBTL1ALDH1A1CA2
SCHEMBL3976669 0.88 KMT2A (0.47) PLK1ESRRGTHRBHSD17B10ESRRB
SCHEMBL153898 0.87 KMT2A (0.56) PLK1HDAC1THRBKMT2ATHRA
SCHEMBL9808693 0.87 CYP4A11 (0.57) PLK1ESRRGTHRBHSD17B10THRA
SCHEMBL9808641 0.87 NR1H4 (0.54) HSD17B10L3MBTL1CA2EPHX2NR1H4
SCHEMBL195630 0.87 RARB (0.57) PLK1THRBHSD17B10KMT2ATHRA
SCHEMBL12101430 0.86 CYP4F2 (0.37) PLK1HDAC1ESRRGTHRBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2557072-B1 PARA- OR MESO-FUNCTIONALIZED AROMATIC KETONE COMPOUNDS, PREPARATION METHODS THEREOF, AND PHOTOPOLYMERIZATION INITIATORS COMPRISING THE SAME SHENZHEN UV-CHEMTECH CO LTD (CN) 2017-09-20 — — EP disclosed
US-8742175-B2 Para—or meso-functionalized aromatic ketone compounds, preparation methods thereof, and photopolymerization initiators comprising the same Shenzhen UV-Chemtech Co., Ltd. (CN) 2014-06-03 — — US disclosed
US-20130217877-A1 PARA- OR MESO-FUNCTIONALIZED AROMATIC KETONE COMPOUNDS, PREPARATION METHODS THEREOF, AND PHOTOPOLYMERIZATION INITIATORS COMPRISING THE SAME SHENZHEN UV-CHEMTECH CO., LTD (CN) 2013-08-22 — — US disclosed
EP-1523506-B1 NEW DIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2012-09-12 — — EP disclosed
EP-1523506-B1 NEW DIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2012-09-12 — — EP disclosed
US-8216750-B2 Colored composition, color filter and manufacturing method thereof TOPPAN PRINTING CO., LTD. (JP) 2012-07-10 — — US 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-7723397-B2 ethylenically unsaturated aminoacrylates; overprinting; for production of scratch-resistant durable surface CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 — — US 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-20090311479-A1 Colored composition, color filter and manufacturing method thereof TOPPAN PRINTING CO., LTD. 2009-12-17 — — US disclosed
US-20050239971-A1 New difunctional photoinitators IGM GROUP B.V. (NL) 2005-10-27 — — US disclosed
EP-1523506-A1 NEW DIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2005-04-20 — — EP disclosed
WO-2004009651-A1 NEW DIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-01-29 — — WO disclosed
Send feedback