SCHEMBL28113701

SCHEMBL28113701

CCC(CO)C(C)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TSHR P16473 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL18081221 0.83 TSHR (0.32) TSHRSPHK1
SCHEMBL18912441 0.83 TSHR (0.32) TSHRSPHK1
SCHEMBL101919 0.77
SCHEMBL102107 0.77
SCHEMBL102374 0.77
SCHEMBL6053318 0.76 LMNA (0.48) LMNATSHRTDP1
SCHEMBL9882898 0.74 LMNA (0.36) LMNATSHRSPHK1
SCHEMBL45286 0.73 LMNA (0.55) LMNATSHRKDM4EALDH1A1TDP1
SCHEMBL4754377 0.73 LMNA (0.55) LMNATSHRKDM4EALDH1A1TDP1
SCHEMBL7708054 0.71 LMNA (0.48) LMNATSHRKDM4EALDH1A1TDP1

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
CN-106317369-A Aqueous polyurethane resin dispersion and use thereof 宇部兴产株式会社 2017-01-11 CN disclosed