SCHEMBL4415970

SCHEMBL4415970

CC(C)(O)C(=O)c1ccc(C(OC2CCC(O)CC2)c2cccc(C(=O)C(C)(C)O)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
HTR1A P08908 2/20 0.39
ADRA2A P08913 2/20 0.39
CHRM1 P11229 2/20 0.39
DRD1 P21728 2/20 0.39
SLC6A2 P23975 2/20 0.39
ADRA1A P35348 2/20 0.39
DRD3 P35462 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
NPC1 O15118 1/20 0.39
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
CHRM4 P08173 1/20 0.39
ABCB1 P08183 1/20 0.39
ADRB1 P08588 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
SCHEMBL4413117 0.85 SLC6A3 (0.42) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL4416260 0.80 ACHE (0.36) LMNAACHEMAPK1
SCHEMBL4418821 0.80 ACHE (0.36) LMNAACHEMAPK1
SCHEMBL4414918 0.79 CHEK2 (0.37) LMNAACHEMAPK1
SCHEMBL4551012 0.74 GAA (0.37) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL4423667 0.74 GAA (0.37) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL4420966 0.72 CA1 (0.44) LMNAACHEMAPK1
SCHEMBL4427214 0.71 HSD17B10 (0.39) NPC1LMNAHTTRAB9ACYP2D6
SCHEMBL10067694 0.70 ESR1 (0.45) NPC1LMNAHTTRAB9A
SCHEMBL4425374 0.70 TP53BP1 (0.36) LMNAACHEMAPK1

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