SCHEMBL16638144

SCHEMBL16638144

CCC(C)(CO)C(=O)OCCCCCCCCCCCCOC(=O)c1cccc2c(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O)cccc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL2742204 0.82 TSHR (0.32) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL16638148 0.78 RIPK1 (0.34) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL18499591 0.77
SCHEMBL15945497 0.74 MEN1 (0.32)
SCHEMBL2742215 0.73 SLC2A1 (0.32) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL10233184 0.73
SCHEMBL10182743 0.72 CNR1 (0.32) ALDH1A1CNR1CNR2
SCHEMBL9963795 0.71 STS (0.49) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL18499585 0.70 SCARB1 (0.32)
SCHEMBL9963743 0.69 STS (0.36)

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-9005870-B2 Actinic-ray- or radiation-sensitive resin composition and method of forming pattern using the composition FUJIFILM CORPORATION (JP) 2015-04-14 US disclosed