SCHEMBL21811898

SCHEMBL21811898

CCC(I)CC(=O)OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.36
PRKCA P17252 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL21811941 0.83 MGAM (0.33) TSHRALDH1A1TDP1RECQLCYP3A4
SCHEMBL21811595 0.81 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1PRKCATDP1
SCHEMBL9506134 0.81 GAA (0.48) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL234417 0.79 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1PRKCATDP1
SCHEMBL128660 0.78 TSHR (0.48) TSHRSMN1; SMN2ALDH1A1PRKCATDP1
SCHEMBL9742565 0.78 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1PRKCATDP1
SCHEMBL21811467 0.78 NAAA (0.36) TSHRSMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL235327 0.76 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1PRKCATDP1
SCHEMBL27259225 0.76 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1PRKCATDP1
SCHEMBL2500451 0.76 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1PRKCATDP1

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
WO-2020054874-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed