SCHEMBL4449507

SCHEMBL4449507

C=C(C)C(=O)OCC(O)c1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ALDH1A1 P00352 4/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA2 P00918 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
SCHEMBL4555544 0.81 TSHR (0.37) TSHRALDH1A1TDP1
SCHEMBL13627465 0.80 TSHR (0.38) TSHRALDH1A1GLAKMT2ACA12
SCHEMBL1685754 0.76 TSHR (0.50) TSHRALDH1A1KMT2APOLBAPEX1
SCHEMBL10531702 0.75 TSHR (0.49) TSHRALDH1A1CA1POLBAPEX1
SCHEMBL31416071 0.74 THRB (0.40) TSHRALDH1A1GLAKMT2ACA1
SCHEMBL26117934 0.74 THRB (0.40) TSHRALDH1A1GLAKMT2ACA1
SCHEMBL16232460 0.74 TSHR (0.51) TSHRALDH1A1KMT2APOLBAPEX1
SCHEMBL1173800 0.73 ALDH1A1 (0.43) ALDH1A1GLAKMT2ACA12CA1
SCHEMBL14383793 0.73 ALDH1A1 (0.39) ALDH1A1GLAKMT2ACA12CA1
SCHEMBL29402768 0.73 ALDH1A1 (0.43) ALDH1A1GLAKMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189994-B1 OIL SOLUBLE RADIATION CURABLE METAL-CONTAINING COMPOUNDS AND COMPOSITIONS SARTOMER CO INC (US) 2009-03-18 EP disclosed
US-6399672-B1 OIL SOLUBLE UNSATURATED COMPOUNDS AND PHOTOINITIATORS SARTOMER TECHNOLOGIES CO., INC. 2002-06-04 US disclosed
EP-1189994-A2 OIL SOLUBLE RADIATION CURABLE METAL-CONTAINING COMPOUNDS AND COMPOSITIONS SARTOMER COMPANY, INC. (US) 2002-03-27 EP disclosed
WO-2000075241-A2 OIL SOLUBLE RADIATION CURABLE METAL-CONTAINING COMPOUNDS AND COMPOSITIONS SARTOMER COMPANY, INC. (US) 2000-12-14 WO disclosed