SCHEMBL11629461

SCHEMBL11629461

CC(C)Oc1cccc(C(N=C=S)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
MIF P14174 2/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
ACHE P22303 4/20 0.39
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
CYP2D6 P10635 1/20 0.38
BCHE P06276 3/20 0.37
MARK4 Q96L34 1/20 0.37

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
SCHEMBL11630781 0.87 L3MBTL1 (0.46) PTGS1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL11632256 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL11626465 0.77 MIF (0.52) MIFLMNACYP2D6
SCHEMBL1416702 0.76 PTGS1 (0.73) PTGS1RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL6402645 0.74 PTGS1 (0.53) PTGS1RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL6396086 0.74 PTGS1 (0.53) PTGS1RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL6396089 0.74 PTGS1 (0.53) PTGS1RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL5746015 0.73 PTGS1 (0.51) PTGS1RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL8589033 0.73 PTGS1 (0.51) PTGS1RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL11215919 0.72 PTGS1 (0.50) PTGS1RXRARXRBALDH1A1SMN1; SMN2

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-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed