SCHEMBL14700280

SCHEMBL14700280

COC(C)(C)C(=O)c1cccc(COc2ccc(C(=O)c3ccc(OCc4cccc(C(=O)C(C)(C)OC)c4)cc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
RAB9A P51151 4/20 0.56
TP53 P04637 3/20 0.56
PKM P14618 2/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PPARG P37231 1/20 0.55
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 3/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 2/20 0.51
SRD5A2 P31213 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAOB P27338 2/20 0.50
PTPRC P08575 1/20 0.50
PTPN1 P18031 1/20 0.50

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
SCHEMBL15197906 0.96 MRGPRX4 (0.53) MRGPRX4SMN1; SMN2RAB9ATP53PKM
SCHEMBL14700258 0.87 MRGPRX4 (0.56) MRGPRX4SMN1; SMN2RAB9ATP53PKM
SCHEMBL14700254 0.85 PPARG (0.58) MRGPRX4SMN1; SMN2RAB9ATP53PKM
SCHEMBL14700260 0.82 MRGPRX4 (0.44) MRGPRX4SMN1; SMN2RAB9ATP53PKM
SCHEMBL14700294 0.81 MRGPRX4 (0.61) MRGPRX4SMN1; SMN2RAB9ATP53PKM
SCHEMBL14700276 0.81 SRD5A2 (0.54) MRGPRX4SMN1; SMN2RAB9ATP53PKM
SCHEMBL21508396 0.79 SMN1; SMN2 (0.75) MRGPRX4SMN1; SMN2RAB9ATP53PKM
SCHEMBL15197895 0.78 CYP4F2 (0.46) MRGPRX4SMN1; SMN2RAB9ATP53PKM
SCHEMBL14700288 0.77 MAOB (0.51) MRGPRX4SMN1; SMN2RAB9ATP53PKM
SCHEMBL16994154 0.75 ACHE (0.46) RAB9ARXFP1ALDH1A1LMNAL3MBTL1

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 4 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-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