SCHEMBL21811852

SCHEMBL21811852

CC(C)COC(=O)CC(C)Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.39
PRKCA P17252 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 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
SCHEMBL21811591 0.83 PRKCA (0.34) TDP1ALDH1A1PRKCAGAAMAPT
SCHEMBL128660 0.83 TSHR (0.48) TSHRTDP1L3MBTL1ALDH1A1PRKCA
SCHEMBL235327 0.81 TSHR (0.46) TSHRTDP1L3MBTL1ALDH1A1PRKCA
SCHEMBL27259225 0.81 TSHR (0.46) TSHRTDP1L3MBTL1ALDH1A1PRKCA
SCHEMBL27964667 0.81 TSHR (0.52) TSHRTDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2500451 0.81 TSHR (0.46) TSHRTDP1L3MBTL1ALDH1A1PRKCA
SCHEMBL21811636 0.81 TSHR (0.39) TSHRTDP1L3MBTL1ALDH1A1PRKCA
SCHEMBL2997479 0.79
SCHEMBL18087555 0.79 TSHR (0.45) TSHRTDP1L3MBTL1ALDH1A1PRKCA
SCHEMBL9323641 0.79 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1PRKCA

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