SCHEMBL4420951

SCHEMBL4420951

CN(CCOC(=O)c1ccc(C(=O)OCCN(C)C(c2ccc(C(=O)C(C)(C)O)cc2)c2ccc(C(=O)C(C)(C)O)cc2)cc1)C(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.46
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
MAOA P21397 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HTR3A P46098 1/20 0.41
TXNRD1 Q16881 1/20 0.40
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 3/20 0.39
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
CYP1A2 P05177 1/20 0.39
CNR1 P21554 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL4423408 0.88 TXNRD1 (0.40) PHLPP2ALDH1A1TXNRD1LMNAMAPK1
SCHEMBL4413065 0.88 TXNRD1 (0.42) PHLPP2TXNRD1KDM4E
SCHEMBL4427273 0.86 DNM1 (0.39) PHLPP2GAATXNRD1HRH2HRH1
SCHEMBL4428093 0.86 TXNRD1 (0.39) PHLPP2ALDH1A1SMN1; SMN2TXNRD1BLM
SCHEMBL4418406 0.85 DNM1 (0.41) PHLPP2TXNRD1HRH2HRH1
SCHEMBL4427994 0.85 DNM1 (0.41) PHLPP2TXNRD1HRH2HRH1
SCHEMBL4415201 0.83 OPRD1 (0.36) ALDH1A1TSHRTXNRD1
SCHEMBL4413049 0.82 TXNRD1 (0.38) TSHRTXNRD1ACHE
SCHEMBL4428186 0.82 TXNRD1 (0.36) TXNRD1
SCHEMBL4420950 0.82 OPRD1 (0.36) ALDH1A1TSHRTXNRD1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed