SCHEMBL4421111

SCHEMBL4421111

CC(C)(O)C(=O)c1ccc(C(OC(c2ccc(C(=O)C(C)(C)O)cc2)c2ccccc2C(=O)C(C)(C)O)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.33
ESR1 P03372 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ESR2 Q92731 1/20 0.31
FASN P49327 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
SRD5A2 P31213 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
SCHEMBL4418465 0.85 MLYCD (0.36) SRCESR1ALDH1A1ESR2FASN
SCHEMBL4428618 0.81 SRD5A2 (0.36) SRCALDH1A1GAAKMT2ATDP1
SCHEMBL4425744 0.77 MLYCD (0.37) SRCKMT2A
SCHEMBL4418821 0.77 ACHE (0.36) SRCESR1ALDH1A1TDP1ESR2
SCHEMBL4416260 0.77 ACHE (0.36) SRCESR1ALDH1A1TDP1ESR2
SCHEMBL3678671 0.75 SRC (0.44) SRCESR1ALDH1A1GAAKMT2A
SCHEMBL3088741 0.74 SRC (0.37) SRCESR1ESR2
SCHEMBL2017665 0.73 CYP3A4 (0.44) ALDH1A1KMT2AHPGD
Methoxymethane SCHEMBL4418025 0.72 SRC (0.36) SRCESR1ESR2
SCHEMBL4422392 0.72 ELANE (0.33) SRC

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