SCHEMBL15422951

SCHEMBL15422951

C=CC(=O)OCCN1C(=O)C(CC)=C(CC)C1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 2/20 0.48
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 2/20 0.44
THRB P10828 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.35
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.33
BRCA1 P38398 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
SCHEMBL7047458 0.85 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL10065490 0.79 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL18051612 0.78 PIN1 (0.47) TSHRHPGDALDH1A1HSD17B10THRB
SCHEMBL1147831 0.78 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL29409695 0.78 MEN1 (0.66) TSHRHPGDALDH1A1HSD17B10THRB
SCHEMBL2033572 0.78 MEN1 (0.66) TSHRHPGDALDH1A1HSD17B10THRB
SCHEMBL15871832 0.78 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL17583279 0.78 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16203368 0.78 MEN1 (0.51) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL8052057 0.76 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4TP53

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-20140015906-A1 INK COMPOSTION AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2014-01-16 US disclosed
US-20140015906-A1 INK COMPOSTION AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2014-01-16 US disclosed