SCHEMBL19256888

SCHEMBL19256888

CC(C)Oc1ncc(O)s1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
ACACB O00763 19/20 0.35
ACACA Q13085 5/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 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
SCHEMBL19257383 0.83 ACACB (0.34) ACACB
SCHEMBL19256893 0.81 GABRP (0.33) ACACB
SCHEMBL19257386 0.80 LNPEP (0.33)
SCHEMBL21029951 0.77 NOS1 (0.41) PTGS1ACACBACACACYP2C9CYP2C19
SCHEMBL12701695 0.75 PTGS1 (0.32) PTGS1ACACBACACACYP2C9
SCHEMBL1368651 0.75 PTGS1 (0.32) PTGS1ACACBACACACYP2C9
SCHEMBL26365157 0.75 PTGS1 (0.32) PTGS1ACACBACACACYP2C9
SCHEMBL25693140 0.75 PIK3CD (0.34) PTGS1ACACBACACACYP2C9
SCHEMBL5255307 0.75 HRH3 (0.34) PTGS1ACACBACACACYP2C9CYP2C19
SCHEMBL21772449 0.75 PTGS1 (0.33) PTGS1ACACBACACACYP2C9CYP2C19

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
US-9730449-B2 Thiazole compound and its use in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed