SCHEMBL16248458

SCHEMBL16248458

CC(C)C(=O)OCC(O)(CCCCc1ccc(Cl)cc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
PMP22 Q01453 1/20 0.40
NLRP3 Q96P20 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL16250315 0.75 HDAC3 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7817606 0.72 CYP3A4 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10419963 0.71 PPARA (0.49) CYP3A4CYP1A2CYP2C19PMP22ALDH1A1
SCHEMBL7810773 0.70 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9976423 0.69 MMP2 (0.51) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL24055011 0.67 FDPS (0.48) CYP3A4LMNAALDH1A1HDAC3HDAC4
SCHEMBL11635584 0.67 KCNH2 (0.46) CYP3A4LMNAALDH1A1HDAC3HDAC4
SCHEMBL11637686 0.67 KCNH2 (0.46) CYP3A4LMNAALDH1A1HDAC3HDAC4
SCHEMBL10420873 0.67 PPARA (0.47) CYP3A4CYP1A2CYP2C19PMP22ALDH1A1
SCHEMBL8497249 0.67 HDAC3 (0.43) CYP1A2CYP2D6CYP2C19ALDH1A1HDAC3

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-20140338550-A1 RESIN COMPOSITION FOR LASER-ENGRAVABLE FLEXOGRAPHIC PRINTING PLATE, FLEXOGRAPHIC PRINTING PLATE PRECURSOR FOR LASER-ENGRAVABLE AND PROCESS FOR PRODUCING SAME, AND FLEXOGRAPHIC PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2014-11-20 US disclosed