SCHEMBL14700257

SCHEMBL14700257

CC(C)(O)C(=O)c1cccc(CN(Cc2cccc(C(=O)C(C)(C)O)c2)c2ccc(N(Cc3cccc(C(=O)C(C)(C)O)c3)Cc3cccc(C(=O)C(C)(C)O)c3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ NR1H2 P55055 4/20 0.40
▸ NR1H3 Q13133 4/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ CETP P11597 2/20 0.38
▸ MEP1B Q16820 2/20 0.38
▸ MEP1A Q16819 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ NR3C1 P04150 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
SCHEMBL14700256 0.94 CRHBP (0.50) CRHBPCRHR2PTPN1NR1H2NR1H3
SCHEMBL14700267 0.88 MEP1B (0.49) KMT2AMEN1CETPMEP1B
SCHEMBL14700308 0.86 PTPN1 (0.49) PTPN1KMT2AMEN1MEP1BMEP1A
SCHEMBL14700304 0.83 MEP1B (0.44) PTPN1KMT2AMEN1MEP1BMEP1A
SCHEMBL19370553 0.83 PTPN1 (0.34) CRHBPCRHR2PTPN1NR1H2NR1H3
SCHEMBL14700329 0.82 PTPN1 (0.56) PTPN1KMT2AMEN1MEP1BMEP1A
SCHEMBL14700290 0.82 SMN1; SMN2 (0.43) KMT2AMEN1
SCHEMBL14700286 0.81 KMT2A (0.47) CRHBPCRHR2PTPN1NR1H2NR1H3
SCHEMBL15197912 0.80 CYP2D6 (0.46) —
SCHEMBL14700278 0.79 MEN1 (0.48) PTPN1CYP2C19KMT2AMEN1MEP1B

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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