SCHEMBL14700301

SCHEMBL14700301

CCCCOC(C)(C)C(=O)c1cccc(CN(Cc2cccc(C(=O)C(C)(C)OCCCC)c2)C2CCC(N(Cc3cccc(C(=O)C(C)(C)OCCCC)c3)Cc3cccc(C(=O)C(C)(C)OCCCC)c3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ YTHDC1 Q96MU7 1/20 0.35
▸ PLA2G4B P0C869 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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 0.80 YTHDC1 (0.41) HDAC8HDAC6YTHDC1FFAR1CYP1A2
SCHEMBL14700244 0.79 PLA2G4B (0.43) LMNARAB9ATP53PLA2G4BPPARG
SCHEMBL14700327 0.74 YTHDC1 (0.38) HDAC8HDAC6YTHDC1FFAR1
SCHEMBL10384825 0.73 LMNA (0.46) LMNATSHRTP53PPARAALDH1A1
SCHEMBL19370554 0.70 SLC6A2 (0.35) HDAC8HDAC6YTHDC1FFAR1CYP1A2
SCHEMBL6912630 0.70 HDAC3 (0.47) HDAC8HDAC6CYP1A2CYP2C19
SCHEMBL10942333 0.69 PPARA (0.51) LMNAHPGDRAB9APPARGPPARA
SCHEMBL15381998 0.69 TSHR (0.47) LMNATSHRTP53PLA2G4BALDH1A1
SCHEMBL14514222 0.69 TSHR (0.47) LMNATSHRTP53PLA2G4BALDH1A1
SCHEMBL14653643 0.68 L3MBTL1 (0.44) LMNATSHRHPGDTP53PPARG

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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