SCHEMBL8002722

SCHEMBL8002722

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@H]2N(C(=O)c3cc4ccccc4n3S(=O)(=O)c3ccccc3)CC21C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.35
DRD2 P14416 1/20 0.35
BCAT1 P54687 1/20 0.35
CYP51A1 Q16850 1/20 0.34
CCKBR P32239 3/20 0.34
MMP2 P08253 1/20 0.34
MMP14 P50281 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.33
GHSR Q92847 1/20 0.33
PYGL P06737 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL1550135 0.85 STAT6 (0.38) STAT6DRD2BCAT1CYP51A1CCKBR
SCHEMBL19856953 0.85 STAT6 (0.38) STAT6DRD2BCAT1CYP51A1CCKBR
SCHEMBL7995048 0.79 DRD2 (0.43) STAT6DRD2CYP51A1CCKBRALDH1A1
SCHEMBL7989864 0.75 PYGL (0.37) DRD2BCAT1CYP51A1GHSRPYGL
SCHEMBL8002404 0.75 PYGL (0.37) DRD2BCAT1CYP51A1ALDH1A1GHSR
SCHEMBL8004923 0.74 PYGL (0.37) DRD2BCAT1CYP51A1PYGL
SCHEMBL7998609 0.73 DRD2 (0.47) STAT6DRD2CYP51A1CCKBRALDH1A1
SCHEMBL7989861 0.73 DRD2 (0.47) STAT6DRD2CYP51A1CCKBRALDH1A1
SCHEMBL8002402 0.73 STAT6 (0.37) STAT6BCAT1CYP51A1CCKBRALDH1A1
SCHEMBL7996254 0.73 STAT6 (0.37) STAT6CYP51A1CCKBRLMNAGHSR

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-2009146182-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-03 WO disclosed