SCHEMBL4422340

SCHEMBL4422340

CCOC(=O)CCN(CCC(=O)OCC)C(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 1/20 0.36
OPRD1 P41143 2/20 0.36
ALOX15 P16050 1/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
F10 P00742 2/20 0.34
F2 P00734 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
LTA4H P09960 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALOX5 P09917 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4416234 0.80 OPRD1 (0.39) OPRD1LMNAHPGD
SCHEMBL4425716 0.79 OPRD1 (0.38) OPRD1L3MBTL1ALDH1A1HPGDKMT2A
SCHEMBL4417620 0.79 OPRD1 (0.46) OPRD1ALDH1A1
SCHEMBL4418395 0.79 MLYCD (0.43) SMN1; SMN2OPRD1MAPTRAB9AALDH1A1
SCHEMBL4423408 0.77 TXNRD1 (0.40) OPRD1LMNAALDH1A1KMT2A
SCHEMBL4415856 0.76 OPRD1 (0.47) OPRD1L3MBTL1HPGDKMT2A
SCHEMBL4428569 0.75 OPRD1 (0.36) OPRD1L3MBTL1LMNAHPGD
SCHEMBL4427273 0.75 DNM1 (0.39) OPRD1L3MBTL1TDP1
SCHEMBL3675207 0.75 OPRD1 (0.46) OPRD1ALOX15L3MBTL1LMNAALDH1A1
SCHEMBL4416072 0.75 MLYCD (0.44) SMN1; SMN2POLBOPRD1L3MBTL1MAPT

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