SCHEMBL11516799

SCHEMBL11516799

CCC(C)(C)OC(=O)OC([C]=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.37
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CYP2C19 P33261 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MMP8 P22894 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 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
SCHEMBL11513632 0.85 CTSK (0.41) RIPK1CTSSCTSKATML3MBTL1
SCHEMBL11517187 0.81 PPARA (0.43) RIPK1CYP2C19ATML3MBTL1CYP1A2
SCHEMBL11516703 0.75 ELANE (0.39) CYP1A2CYP2D6KMT2AMEN1MMP8
SCHEMBL7225521 0.73 ALDH1A1 (0.51) CYP2D6KMT2AMEN1LMNA
SCHEMBL465593 0.73 ALDH1A1 (0.51) CYP2D6KMT2AMEN1LMNA
SCHEMBL16273475 0.72 MMP8 (0.47) RIPK1CYP2C19ATML3MBTL1CYP1A2
SCHEMBL30457634 0.72 CTSK (0.40) RIPK1CTSSCTSKATML3MBTL1
SCHEMBL11517403 0.72 ALDH1A1 (0.46) CTSSL3MBTL1CYP1A2KMT2ALMNA
SCHEMBL1790330 0.70 ELANE (0.46) CYP2C19ATML3MBTL1CYP1A2CYP2D6
SCHEMBL11515874 0.69 HTT (0.39) CYP2C19CYP1A2CYP2D6KMT2AMEN1

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-4175185-A ESTERIFICATION, IMINOHALOGENATION, ETHERIFICATION, HYDROLYSIS, DEESTERIFICATION MEIJI SEIKA KAISHA LTD. (JP) 1979-11-20 US disclosed