SCHEMBL9637136

SCHEMBL9637136

CCCCCCCCCCCCCCCCC(C(=O)O)(C(=O)OCC1CO1)C(=O)OCC1CO1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
ENPP2 Q13822 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35

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
SCHEMBL27331319 0.85 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2TP53CYP3A4
SCHEMBL5076240 0.84 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL284419 0.82 CYP4F2 (0.47) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL21769282 0.81 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL27961199 0.81 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL9957587 0.81 CYP4F2 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL10773349 0.78 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL8091220 0.78 MEN1 (0.54) ALDH1A1TDP1MEN1MAPTKMT2A
Methacrylic Acid SCHEMBL16894025 0.78 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL12026823 0.76 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048483-B2 FLAME RETARDING POLYESTER COMPOSITION TORAY INDUSTRIES, INC. (JP) 1992-08-12 EP disclosed
EP-0048483-B1 FLAME RETARDING POLYESTER COMPOSITION TORAY INDUSTRIES, INC. (JP) 1985-01-09 EP disclosed
US-4456719-A CONTAINING HALOGEN CONTAINING POLY(A-METHYL-)STYRENE, ANTIMONY TRIOXIDE, AND EPOXY COMPOUND TORAY INDUSTRIES, INC. (JP) 1984-06-26 US disclosed
EP-0048483-A1 Flame retarding polyester composition TORAY INDUSTRIES, INC. (JP) 1982-03-31 EP disclosed