SCHEMBL4689285

SCHEMBL4689285

CCC(=O)NOc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
PPARA Q07869 2/20 0.42
ABCB11 O95342 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
HPGD P15428 1/20 0.42
ATF4 P18848 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
CNR2 P34972 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL28724159 0.83 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4TSHRPMP22
SCHEMBL1117020 0.83 CA1 (0.52) KMT2AALDH1A1L3MBTL1SMN1; SMN2CYP2C19
SCHEMBL28339055 0.82 MEN1 (0.46) MEN1KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL4540135 0.81 RECQL (0.53) MEN1KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL8495864 0.80 OGG1 (0.50) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL16392373 0.79 KMT2A (0.47) MEN1KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL1116917 0.77 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL27816666 0.76 TSHR (0.52) MEN1KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL4599074 0.74 ALDH1A1 (0.42) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL2171671 0.74 L3MBTL1 (0.68) MEN1KMT2AALDH1A1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP claimed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO claimed
EP-0008973-B1 A PROCESS FOR PREPARING PHENOXYLACTIC ACIDS AND THEIR DERIVATIVES, AND PRODUCTS OBTAINED SUCRERIES DU SOISSONNAIS ET COMPAGNIE SUCRIERE Société anonyme dite: (FR) 1982-09-29 EP claimed
EP-0008973-A2 A process for preparing phenoxylactic acids and their derivatives, and products obtained SUCRERIES DU SOISSONNAIS ET COMPAGNIE SUCRIERE Société anonyme dite: (FR) 1980-03-19 EP claimed