SCHEMBL12630542

SCHEMBL12630542

C[C@@H](NS(=O)(=O)CC/C=C/CO)c1cccc(OC2CCCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 16/20 0.68
▸ ACACB O00763 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ CNR2 P34972 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
SCHEMBL21690781 0.90 DUT (0.68) DUTIDH1CNR2
SCHEMBL21690986 0.88 DUT (0.66) DUTCNR2
SCHEMBL21315518 0.85 DUT (0.66) DUT
SCHEMBL12630551 0.85 DUT (0.66) DUT
SCHEMBL12711107 0.84 DUT (0.50) DUTACACBIDH1
SCHEMBL12696958 0.84 DUT (0.68) DUT
SCHEMBL12630553 0.83 DUT (0.67) DUT
SCHEMBL1409598 0.81 DUT (1.00) DUT
SCHEMBL1409594 0.81 DUT (1.00) DUT
SCHEMBL1409592 0.81 DUT (1.00) DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295414-B1 URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2012-09-26 — — EP disclosed
WO-2011065545-A1 5-FLUOROURACIL COMPOUND HAVING dUTPase-INHIBITING ACTIVITY OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2011-06-03 — — WO disclosed
EP-2295414-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2011-03-16 — — EP disclosed
WO-2009147843-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2009-12-10 — — WO disclosed
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