SCHEMBL27965634

SCHEMBL27965634

C=C(C)C(=O)N=CN(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
PTK2B Q14289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL23301120 0.79 ALDH1A1 (0.33) ALDH1A1TP53ALOX15HTTPTK2B
SCHEMBL23301122 0.79 ALDH1A1 (0.33) ALDH1A1TP53ALOX15HTTPTK2B
SCHEMBL14948894 0.74
SCHEMBL2525528 0.74
SCHEMBL2525531 0.74
SCHEMBL20048168 0.74
SCHEMBL25777356 0.73 ALDH1A1 (0.35) ALDH1A1TP53ALOX15HTTPTK2B
SCHEMBL27409591 0.72
SCHEMBL2233523 0.71 SMN1; SMN2 (0.32) SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL2233528 0.71 SMN1; SMN2 (0.32) SMN1; SMN2CYP1A2CYP2C19POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103772559-A Initiator composition used for preparing oil displacing agent of polymer used in tertiary oil recovery CHINA PETROLEUM & CHEMICAL 2014-05-07 CN claimed
CN-103772559-A Initiator composition used for preparing oil displacing agent of polymer used in tertiary oil recovery CHINA PETROLEUM & CHEMICAL 2014-05-07 CN disclosed