SCHEMBL11701735

SCHEMBL11701735

CCC(C)OP(=O)(O)CCCOCC1CO1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 2/20 0.46
PLA2G2C Q5R387 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
ENPP2 Q13822 1/20 0.32
LPAR2 Q9HBW0 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
SCHEMBL4990902 0.77 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1ENPP2LPAR2
SCHEMBL3416196 0.75 TSHR (0.63) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL12372972 0.75 TSHR (0.53) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL779433 0.73 TRPM8 (0.45) LPAR2
SCHEMBL11696130 0.73 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TSHRPLA2G2C
SCHEMBL17636214 0.72 TSHR (0.55) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL13431264 0.72 TSHR (0.55) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL4158403 0.72 PPARD (0.39) ALDH1A1TDP1PLA2G2C
SCHEMBL16427895 0.71 LPAR3 (0.50) LPAR2
SCHEMBL4164673 0.71 PPARD (0.34) ALDH1A1TSHRPLA2G2C

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-4048374-A Functional organophosphonic acid esters as preservative adhesion promoting agents and coating for metals DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed
US-4029679-A PROTECTIVE METAL COATING DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1977-06-14 US disclosed