SCHEMBL8906355

SCHEMBL8906355

CCOC(=O)CCc1ccccc1N(C)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.55
CYP4A11 Q02928 3/20 0.55
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
EPHX2 P34913 1/20 0.39
CDYL Q9Y232 1/20 0.39
MAPT P10636 1/20 0.39
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.38
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL19665869 0.84 NPSR1 (0.43) L3MBTL1CYP2C19NPSR1
SCHEMBL27489439 0.83 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1SMN1; SMN2POLB
SCHEMBL10981821 0.82 CYP4F2 (0.65) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL27753784 0.82 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL10787806 0.79 HDAC3 (0.41) SMN1; SMN2L3MBTL1MAPTMAPK1NPSR1
SCHEMBL7376639 0.79 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1SMN1; SMN2POLB
SCHEMBL21008087 0.78 CYP4F2 (0.55) CYP4F2CYP4A11SMN1; SMN2EPHX2ALOX5
SCHEMBL10723055 0.77 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL28497564 0.77 TSHR (0.54) ALDH1A1GAASMN1; SMN2MAPTLMNA
SCHEMBL27477309 0.77 RAD52 (0.40) ALDH1A1L3MBTL1LMNA

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
EP-0805816-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-11-12 EP disclosed
WO-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 WO disclosed