SCHEMBL4418396

SCHEMBL4418396

CCN(CC(C)O)C(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.40
MLYCD O95822 6/20 0.36
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
OPRM1 P35372 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4421850 0.93 MLYCD (0.37) OPRD1MLYCDALDH1A1TSHRHSD17B10
SCHEMBL4417620 0.88 OPRD1 (0.46) OPRD1MLYCDPGRADRA2AADRA2B
SCHEMBL4423398 0.83 MLYCD (0.36) OPRD1MLYCDOPRM1ALDH1A1TSHR
SCHEMBL4415856 0.82 OPRD1 (0.47) OPRD1MLYCDPGRADRA2AADRA2B
SCHEMBL4416234 0.77 OPRD1 (0.39) OPRD1MLYCDKCNH2OPRM1CNR2
SCHEMBL4425716 0.77 OPRD1 (0.38) OPRD1MLYCDOPRM1ALDH1A1TSHR
SCHEMBL4421104 0.74 OPRD1 (0.34) OPRD1MLYCDALDH1A1
SCHEMBL4551014 0.74 CHRNA7 (0.45) OPRD1MLYCDOPRM1ALDH1A1TSHR
SCHEMBL537689 0.73 PTPN5 (0.38) MLYCDALDH1A1TSHRHSD17B10
SCHEMBL4418395 0.73 MLYCD (0.43) OPRD1MLYCDKCNH2ALDH1A1

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