SCHEMBL7715228

SCHEMBL7715228

C=C(C)C(=O)OCC1(C)CO1.C=CC(=O)OCC1(C)CO1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 1/20 0.35
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 2/20 0.34
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL1316484 0.90 TSHR (0.47) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL714093 0.88 TSHR (0.48) TSHRALDH1A1THRB
SCHEMBL28360983 0.78 TSHR (0.38) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL1356974 0.77 TSHR (0.40) TSHRALDH1A1HPGDTP53HIF1A
Acrylic Acid Methyl Ester SCHEMBL28055461 0.76 ALDH1A1 (0.37) TSHRALDH1A1HPGDTHRB
SCHEMBL10417273 0.76 ALDH1A1 (0.73) TSHRALDH1A1TP53CYP3A4THRB
SCHEMBL3340945 0.76 HCAR2 (0.38) ALDH1A1THRBSMN1; SMN2
SCHEMBL3340617 0.76 HCAR2 (0.38) ALDH1A1THRBSMN1; SMN2
SCHEMBL17850002 0.76 TSHR (0.39) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL1356853 0.75 ALDH1A1 (0.44) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6388012-B1 Thermosetting powder resin composition MITSUI CHEMICALS, INC. (JP) 2002-05-14 US disclosed