SCHEMBL2524902

SCHEMBL2524902

C/C(C=O)=C\[C@@H]1[C@@H](C(=O)OC(C)(C)C)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL1073150 1.00 LMNA (0.44) LMNACYP1A2CYP2C19TSHRTDP1
SCHEMBL1073148 1.00 LMNA (0.44) LMNACYP1A2CYP2C19TSHRTDP1
SCHEMBL294875 0.85 LMNA (0.60) LMNACYP1A2CYP2C19TSHRTDP1
SCHEMBL12212691 0.83 LMNA (0.41) LMNACYP1A2CYP2C19TSHRTDP1
SCHEMBL2520167 0.83 LMNA (0.41) LMNACYP1A2CYP2C19TSHRTDP1
SCHEMBL2167686 0.81 LMNA (0.47) LMNACYP1A2CYP2C19TSHRTDP1
SCHEMBL2167679 0.81 LMNA (0.47) LMNACYP1A2CYP2C19TSHRTDP1
SCHEMBL1073000 0.81 LMNA (0.47) LMNACYP1A2CYP2C19TSHRTDP1
SCHEMBL11239722 0.81 LMNA (0.47) LMNACYP1A2CYP2C19TSHRTDP1
SCHEMBL2167676 0.81 LMNA (0.47) LMNACYP1A2CYP2C19TSHRTDP1

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-8039499-B2 Ester compound and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-18 US disclosed