SCHEMBL9544207

SCHEMBL9544207

CC(C)(C)OC(=O)N1Cc2ccccc2C(CC(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.52
MAPK1 P28482 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
ABHD6 Q9BV23 1/20 0.45
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
PRMT5 O14744 3/20 0.42
WDR77 Q9BQA1 3/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
RORC P51449 1/20 0.41
ESR2 Q92731 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
USP30 Q70CQ3 1/20 0.40
STS P08842 1/20 0.39

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
SCHEMBL9544216 1.00 NAMPT (0.52) NAMPTMAPK1TAOK3ABHD6DDB1
SCHEMBL22366343 0.85 NAMPT (0.52) NAMPTMAPK1TAOK3ABHD6DDB1
SCHEMBL30428022 0.85 NAMPT (0.52) NAMPTMAPK1TAOK3ABHD6DDB1
SCHEMBL3703899 0.81 NAMPT (0.52) NAMPTMAPK1TAOK3ABHD6DDB1
SCHEMBL30771260 0.81 NAMPT (0.52) NAMPTMAPK1TAOK3ABHD6DDB1
SCHEMBL23257707 0.81 NAMPT (0.54) NAMPTMAPK1TAOK3ABHD6DDB1
SCHEMBL29457612 0.81 NAMPT (0.54) NAMPTMAPK1TAOK3ABHD6DDB1
SCHEMBL11929935 0.81 ABHD6 (0.65) NAMPTMAPK1TAOK3ABHD6DDB1
SCHEMBL29813705 0.80 NAMPT (0.53) NAMPTMAPK1TAOK3ABHD6DDB1
SCHEMBL2902496 0.80 NAMPT (0.53) NAMPTMAPK1TAOK3ABHD6DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed