SCHEMBL15422958

SCHEMBL15422958

CCC(C)C(=O)NCCN1C(=O)C(C)=C(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CYP3A4 P08684 2/20 0.33
BRD4 O60885 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 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
SCHEMBL21384145 0.77 ALDH1A1 (0.59) ALDH1A1PKMGAACYP2C19MEN1
SCHEMBL14153993 0.74 TSHR (0.61) ALDH1A1GAATSHRUSP2MEN1
SCHEMBL5021623 0.70 TSHR (0.50) GAATSHRUSP2MEN1KMT2A
SCHEMBL17853878 0.70 USP2 (0.50) ALDH1A1GAATSHRUSP2MEN1
SCHEMBL1780743 0.70 ALDH1A1 (0.46) ALDH1A1PKMGAATSHRMAPK1
SCHEMBL21004151 0.70 KMT2A (0.53) ALDH1A1GAACYP2C19KMT2ALMNA
SCHEMBL21004150 0.70 KMT2A (0.61) TSHRMEN1KMT2AHTT
SCHEMBL17527573 0.69 ALDH1A2 (0.52) ALDH1A1GAATSHRUSP2MEN1
SCHEMBL18685491 0.69 USP2 (0.54) ALDH1A1GAATSHRUSP2MEN1
SCHEMBL14238600 0.69 USP2 (0.54) ALDH1A1GAATSHRUSP2MEN1

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