SCHEMBL4418809

SCHEMBL4418809

COCCNC(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
ALDH1A1 P00352 5/20 0.40
HTT P42858 3/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 4/20 0.38
POLB P06746 1/20 0.37
OPRD1 P41143 1/20 0.36
HCAR3 P49019 1/20 0.36
PTGER4 P35408 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MLYCD O95822 1/20 0.35

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
SCHEMBL4418619 0.89 OPRD1 (0.36) HTTKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL4414465 0.84 CA12 (0.36) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL4421945 0.84 OPRD1 (0.34) ALDH1A1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL4416154 0.84 ALDH1A1 (0.39) ALDH1A1RAB9ASMN1; SMN2HPGDOPRD1
SCHEMBL4420959 0.83 OPRD1 (0.36) HTTKMT2AMEN1SMN1; SMN2OPRD1
SCHEMBL4428582 0.82 OPRD1 (0.40) ALDH1A1KMT2ARAB9AMEN1OPRD1
SCHEMBL4413080 0.81 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2POLBOPRD1
SCHEMBL4418000 0.81 ALDH1A1 (0.50) ALDH1A1RAB9AMAPTHPGDPOLB
SCHEMBL4418549 0.81 ACHE (0.38) ALDH1A1RAB9AMLYCD
SCHEMBL4413140 0.80 OPRD1 (0.43) OPRD1HDAC6MLYCD

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