SCHEMBL20188149

SCHEMBL20188149

CCOC(=O)N(COCCCS(=O)(=O)NCCc1cccc(OC2CCCC2)c1)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 10/20 0.45
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ SLC5A7 Q9GZV3 1/20 0.35

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
SCHEMBL20188108 0.88 DUT (0.45) DUTCYP2D6PPARGPPARAMTNR1A
SCHEMBL20190547 0.86 DUT (0.46) DUT
SCHEMBL20188455 0.85 DUT (0.47) DUTNPC1RAB9AMTNR1AAKR1C3
SCHEMBL21315531 0.83 DUT (0.55) DUT
SCHEMBL21315533 0.83 DUT (0.55) DUT
SCHEMBL20190338 0.82 DUT (0.46) DUTNPC1RAB9AMTNR1AAKR1C3
SCHEMBL20188045 0.81 DUT (0.51) DUTNPC1RAB9AMTNR1AAKR1C3
SCHEMBL22751566 0.77 DUT (0.54) DUT
SCHEMBL20188224 0.76 DUT (0.51) DUTNPC1RAB9AMTNR1AAKR1C3
SCHEMBL20188526 0.74 DUT (0.51) DUTNPC1RAB9AMTNR1A

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
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
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