SCHEMBL5329228

SCHEMBL5329228

COc1ccccc1C(CCCCC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)(COC(N)=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
APOBEC3A P31941 1/20 0.30
CASP6 P55212 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5329224 0.80 SMN1; SMN2 (0.33) PKMNPC1RAB9ACTNNB1WNT3A
SCHEMBL14513390 0.74 SLC2A1 (0.46)
Hydrochloric Acid SCHEMBL5330503 0.73 SLC2A1 (0.46) TDP1
SCHEMBL5576944 0.73 ACHE (0.39) PKMTDP1
SCHEMBL5329226 0.72 ACHE (0.37) PKM
SCHEMBL5328208 0.69 CA1 (0.35) PKMNPC1RAB9AL3MBTL1
SCHEMBL5310504 0.69 NPC1 (0.37) NPC1RAB9ACTNNB1WNT3A
SCHEMBL5328513 0.68 NPC1 (0.35) PKMNPC1RAB9ACTNNB1WNT3A
SCHEMBL5308537 0.67 SLC2A1 (0.36)
Hydrochloric Acid SCHEMBL5308736 0.67 SLC2A1 (0.36)

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-2007052831-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-10 WO disclosed