SCHEMBL5468903

SCHEMBL5468903

c1ccc(C(CC2CO2)(CC2CO2)CC2CO2)c(CC2CO2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CTSB P07858 1/20 0.30
DHFR P00374 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL4247533 0.83 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL3725189 0.80 IDO1 (0.46) TDP1ALDH1A1KMT2A
SCHEMBL29826970 0.78 TDP1 (0.45) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL6480647 0.78 TDP1 (0.45) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL28405645 0.77 TDP1 (0.33) TDP1ALDH1A1GLA
SCHEMBL30607492 0.77 TDP1 (0.41) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL28454337 0.77 TDP1 (0.41) TDP1ALDH1A1GLAMEN1KMT2A
Ammonia Solution, Strong SCHEMBL27798784 0.76 TDP1 (0.43) TDP1ALDH1A1GLAMEN1KMT2A
Methane SCHEMBL27917831 0.76 TDP1 (0.43) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL25282361 0.76 MEN1 (0.38) TDP1ALDH1A1GLAMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120139131-A1 WAFER MOLD MATERIAL AND METHOD FOR MANUFACTURING SEMICONDUCTOR APPARATUS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-07 US disclosed
EP-2461356-A1 Wafer mold material and method for manufacturing semiconductor apparatus Shin-Etsu Chemical Co., Ltd. (JP) 2012-06-06 EP disclosed
US-20070015885-A1 Thermosetting resin composition NIPPON PETROCHEMICALS CO., LTD. (JP) 2007-01-18 US disclosed
US-20060156955-A1 Thermosetting resin composition NIPPON PETROCHEMICALS CO., LTD. (JP) 2006-07-20 US disclosed
EP-1564257-A1 THERMOSETTING RESIN COMPOSITION NIPPON PETROCHEMICALS CO., LTD. (JP) 2005-08-17 EP disclosed
EP-1564256-A1 THERMOSETTING RESIN COMPOSITION NIPPON PETROCHEMICALS CO., LTD. (JP) 2005-08-17 EP disclosed