SCHEMBL14700327

SCHEMBL14700327

CC(C)(O)C(=O)c1cccc(CN(Cc2cccc(C(=O)C(C)(C)O)c2)C2CCC(CC3CCC(N(Cc4cccc(C(=O)C(C)(C)O)c4)Cc4cccc(C(=O)C(C)(C)O)c4)CC3)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ SLC6A2 P23975 8/20 0.36
▸ SLC6A4 P31645 6/20 0.36
▸ SLC6A3 Q01959 6/20 0.36
▸ CCR5 P51681 1/20 0.35
▸ FFAR1 O14842 2/20 0.35
▸ PTGES O14684 1/20 0.34
▸ MC4R P32245 1/20 0.34
▸ MC5R P33032 1/20 0.34
▸ MC3R P41968 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.32
▸ MEP1A Q16819 1/20 0.32
▸ MEP1B Q16820 1/20 0.32

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
SCHEMBL14700300 0.94 YTHDC1 (0.41) YTHDC1HDAC8HDAC6SLC6A2SLC6A4
SCHEMBL19370554 0.83 SLC6A2 (0.35) YTHDC1HDAC8HDAC6SLC6A2SLC6A4
SCHEMBL14700308 0.77 PTPN1 (0.49) MEN1KMT2AMEP1AMEP1B
SCHEMBL14700304 0.74 MEP1B (0.44) MEN1KMT2AMEP1AMEP1B
SCHEMBL14700301 0.74 HDAC8 (0.37) YTHDC1HDAC8HDAC6FFAR1
SCHEMBL14700257 0.73 CRHBP (0.42) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL14700329 0.73 PTPN1 (0.56) HDAC6MEN1KMT2AMEP1AMEP1B
SCHEMBL14700290 0.73 SMN1; SMN2 (0.43) MEN1KMT2A
SCHEMBL6912630 0.73 HDAC3 (0.47) HDAC8HDAC6SLC6A2SLC6A4
SCHEMBL15197912 0.72 CYP2D6 (0.46) HDAC6

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 6 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-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
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-2557072-A1 PARA- OR MESO-FUNCTIONALIZED AROMATIC KETONE COMPOUNDS, PREPARATION METHODS THEREOF, AND PHOTOPOLYMERIZATION INITIATORS COMPRISING THE SAME Shenzhen UV-Chemtech Co., Ltd (CN) 2013-02-13 — — EP disclosed
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