SCHEMBL10484141

SCHEMBL10484141

COc1ccc(SCCCCCCC(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 5/20 0.44
LMNA P02545 1/20 0.44
FDPS P14324 4/20 0.44
RYR2 Q92736 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACP3 P15309 1/20 0.41
MMP2 P08253 3/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MMP12 P39900 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL21102388 0.82 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1LMNARYR2
SCHEMBL5172139 0.81 ALDH1A1 (0.54) MTNR1AMTNR1BALDH1A1LMNARYR2
SCHEMBL8842697 0.81 ALDH1A1 (0.44) MTNR1AMTNR1BALDH1A1LMNARYR2
SCHEMBL10484334 0.81 HDAC3 (0.52) ALDH1A1LMNAFDPSRAB9AMMP2
SCHEMBL9226277 0.81 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1LMNAFDPS
SCHEMBL9222439 0.80 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1LMNAFDPS
SCHEMBL5167250 0.79 ALDH1A1 (0.56) MTNR1AMTNR1BALDH1A1LMNARYR2
SCHEMBL2598121 0.79 FDPS (0.42) ALDH1A1LMNAFDPSMMP2
SCHEMBL10484023 0.76 MAPT (0.45) ALDH1A1FDPSMMP2MMP9KDM4E
SCHEMBL9808184 0.76 ALDH1A1 (0.56) MTNR1AMTNR1BALDH1A1LMNARYR2

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-4876248-A Anti-inflammatory products derived from methylene-diphosphonic acid, and process for their preparation SANOFI (FR) 1989-10-24 US disclosed
US-4746654-A ANTIARTHRITIC SANOFI (FR) 1988-05-24 US disclosed