SCHEMBL11529906

SCHEMBL11529906

CCC(CC)(C(=O)OC(C)C)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FDPS P14324 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL8906097 0.85 MMP1 (0.32) PTPN1FDPSMMP1MMP2MMP3
SCHEMBL6931264 0.82
SCHEMBL2721087 0.79 PTPN1 (0.44) PTPN1TSHRMEN1KMT2A
SCHEMBL1564814 0.77 PTPN1 (0.39) PTPN1TSHRLMNAMEN1KMT2A
SCHEMBL337595 0.77 MMP1 (0.34) PTPN1FDPSMMP1MMP2MMP3
SCHEMBL16048 0.75 CYP4F2 (0.40) LMNAMEN1KMT2A
SCHEMBL9578846 0.75 FDPS (0.32) FDPS
SCHEMBL18759662 0.75 CYP4F2 (0.40) LMNAMEN1KMT2A
SCHEMBL19278938 0.73 CYP4F2 (0.39) LMNAMEN1KMT2A
SCHEMBL97930 0.73 DGAT1 (0.39) LMNAFDPS

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
US-4172146-A Substituted phenyl derivatives CIBA-GEIGY CORPORATION (US) 1979-10-23 US disclosed
US-4069344-A INSECTICIDAL SUBSTITUTED PHENYL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-01-17 US disclosed