SCHEMBL28865971

SCHEMBL28865971

CCCCCCCCCCCCOC(=O)C(C)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
HPGD P15428 2/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX12 P18054 1/20 0.49
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 2/20 0.47

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
SCHEMBL21381321 1.00 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1L3MBTL1TDP1HPGD
SCHEMBL28257486 0.95 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1L3MBTL1TDP1HPGD
SCHEMBL28252097 0.89 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1L3MBTL1TDP1HPGD
SCHEMBL4883335 0.89 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1L3MBTL1TDP1HPGD
SCHEMBL29939975 0.89 TSHR (0.59) SMN1; SMN2ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL22714256 0.89 TSHR (0.59) SMN1; SMN2ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL28486513 0.89 TSHR (0.59) SMN1; SMN2ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL28440170 0.89 TSHR (0.59) SMN1; SMN2ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL5933503 0.88 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1L3MBTL1TDP1HPGD
SCHEMBL5315060 0.84 MAPT (0.68) SMN1; SMN2ALDH1A1L3MBTL1TDP1HPGD

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-108947821-A A kind of preparation method of chlorobenzene oxycarboxylic acid ester 山东润博生物科技有限公司 2018-12-07 CN disclosed
CN-108947815-A A kind of preparation method of chlorobenzene oxycarboxylic acid ester 山东润博生物科技有限公司 2018-12-07 CN disclosed