SCHEMBL13780246

SCHEMBL13780246

C=CC(=O)OCCN1CCN(CCO)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.57
ALDH1A1 P00352 8/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 3/20 0.38
THRB P10828 2/20 0.37
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SLC29A1 Q99808 1/20 0.35
KMT2A Q03164 2/20 0.34
SLC18A3 Q16572 1/20 0.34
CYP2D6 P10635 1/20 0.34
TEAD3 Q99594 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL12860037 0.93 ALDH1A1 (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL238950 0.93 ALDH1A1 (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29473512 0.89 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5456929 0.86 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL67736 0.85 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13674270 0.84 SLC18A3 (0.49) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8551294 0.84 TEAD3 (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10824638 0.84 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL69499 0.84 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1433635 0.82 ALDH1A1 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2075632-A1 Dye-containing negative curable composition, color filter, method of producing the same, and solid-state image sensor FUJIFILM Corporation (JP) 2009-07-01 EP disclosed