SCHEMBL15499800

SCHEMBL15499800

C=CC(=O)OCC(O)CN1C(=O)N(CC(O)COC(=O)C=C)C2C1N(CC(O)COC(=O)C=C)C(=O)N2CC(O)COC(=O)C=C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.43
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
THRB P10828 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
SCHEMBL15498552 0.89 TSHR (0.39) TSHRALDH1A1
SCHEMBL11297066 0.79 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4187283 0.78 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10938362 0.77 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL95157 0.75 TSHR (0.64) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8549183 0.73 HTT (0.41) TSHRALDH1A1TP53MAPK1
SCHEMBL8422176 0.72 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21944926 0.71 TP53 (0.46) TSHRTP53SMN1; SMN2
SCHEMBL11385326 0.71 RAB9A (0.43) TSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL16243868 0.71 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828644-B2 Compound, photosensitive composition comprising the same and photosensitive material LG CHEM, LTD. (KR) 2014-09-09 US disclosed
US-20140065543-A1 NEW COMPOUND, PHOTOSENSITIVE COMPOSITION COMPRISING THE SAME AND PHOTOSENSITIVE MATERIAL LG CHEM, LTD. (KR) 2014-03-06 US disclosed