SCHEMBL7820171

SCHEMBL7820171

CC(C)(C)C(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.55
CYP26A1 O43174 1/20 0.53
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ATM Q13315 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.46
EEF2K O00418 2/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44

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
SCHEMBL684799 0.89 RIPK1 (0.54) RIPK1CYP26A1MAPTSMN1; SMN2CYP1A2
SCHEMBL19435047 0.86 RIPK1 (0.76) RIPK1CYP26A1MAPTSMN1; SMN2KMT2A
SCHEMBL7813724 0.86 CYP26A1 (0.56) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19435046 0.86 RIPK1 (0.76) RIPK1CYP26A1MAPTSMN1; SMN2KMT2A
SCHEMBL8558646 0.86 RIPK1 (0.55) RIPK1CYP26A1MAPTSMN1; SMN2CYP1A2
SCHEMBL12666568 0.85 RIPK1 (0.74) RIPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12666549 0.85 RIPK1 (0.60) RIPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25587388 0.85 RIPK1 (0.74) RIPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25587390 0.85 RIPK1 (0.74) RIPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8062915 0.83 ALDH1A1 (0.56) RIPK1CYP26A1SMN1; SMN2KMT2AMEN1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed