SCHEMBL15549074

SCHEMBL15549074

CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)O)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
KMT2A Q03164 10/20 0.68
MEN1 O00255 8/20 0.68
ALDH1A1 P00352 7/20 0.67
LMNA P02545 3/20 0.66
MAPK1 P28482 2/20 0.66
FPR2 P25090 1/20 0.58
PROKR1 Q8TCW9 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL17535986 0.88 LMNA (0.67) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL8878617 0.85 KMT2A (0.65) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL1003394 0.84 MEN1 (0.50) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL3984421 0.83 KMT2A (0.46) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL16660444 0.81 POLB (0.62) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL27616803 0.81 ALDH1A1 (0.51) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL5317276 0.80 ALDH1A1 (0.60) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL8670380 0.78 LMNA (0.63) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL4864670 0.77 L3MBTL1 (0.77) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL16056413 0.77 LMNA (0.61) KMT2AMEN1ALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855449-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed
WO-2014013076-A1 HEXAHYDROPYRROLOTHIAZINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-01-23 WO disclosed
WO-2013179024-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-05 WO disclosed