SCHEMBL27414037

SCHEMBL27414037

Cc1cccc(OCCC(=O)CC(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ KMT2A Q03164 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ POLB P06746 1/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ DRD2 P14416 1/20 0.52
▸ DRD4 P21917 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL31302989 0.87 L3MBTL1 (0.64) SMN1; SMN2KMT2AHPGDMEN1POLB
SCHEMBL2777259 0.87 L3MBTL1 (0.64) SMN1; SMN2KMT2AHPGDMEN1POLB
Hydrochloric Acid SCHEMBL2777750 0.86 L3MBTL1 (0.62) SMN1; SMN2KMT2AHPGDMEN1POLB
SCHEMBL826321 0.83 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AHPGDMEN1DRD2
SCHEMBL12908000 0.81 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AHPGDMEN1POLB
SCHEMBL8278944 0.81 KMT2A (0.60) SMN1; SMN2KMT2AHPGDMEN1POLB
SCHEMBL5834552 0.81 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AHPGDMEN1POLB
SCHEMBL13450150 0.80 PPARA (0.59) SMN1; SMN2KMT2AHPGDMEN1DRD2
SCHEMBL10102862 0.80 PPARA (0.59) SMN1; SMN2KMT2AHPGDMEN1DRD2
SCHEMBL20230314 0.80 PPARA (0.59) SMN1; SMN2KMT2AHPGDMEN1DRD2

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
CN-1092659-C Novel pyrimidine derivative OTSUKA PHARMA CO LTD (JP) 2002-10-16 — — CN disclosed
CN-1250450-A Novel pyrimidine derivative OTSUKA PHARMA CO LTD (JP) 2000-04-12 — — CN disclosed
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