SCHEMBL9577845

SCHEMBL9577845

CCCCCCCCCCCCCCCCCCC(C)C(O)=S.CCCCCCCCCCCCCCCCCCC(C)C(O)=S.CCCCCCCCCCCCCCCCCCC(C)C(O)=S.CCCCCCCCCCCCCCCCCCC(C)C(O)=S.OCC(CO)(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.43
CA1 P00915 2/20 0.42
LMNA P02545 2/20 0.42
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GPR84 Q9NQS5 4/20 0.38
FDPS P14324 3/20 0.38
SPHK1 Q9NYA1 2/20 0.38
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
GMNN O75496 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL12473668 1.00 ACE2 (0.43) ACE2CA1LMNAFFAR1FFAR4
SCHEMBL7749021 1.00 ACE2 (0.43) ACE2CA1LMNAFFAR1FFAR4
SCHEMBL27358203 1.00 ACE2 (0.43) ACE2CA1LMNAFFAR1FFAR4
SCHEMBL1010244 1.00 ACE2 (0.43) ACE2CA1LMNAFFAR1FFAR4
SCHEMBL1823284 1.00 ACE2 (0.43) ACE2CA1LMNAFFAR1FFAR4
SCHEMBL8846208 0.93 ACE2 (0.41) ACE2CA1LMNAFFAR1FFAR4
SCHEMBL790607 0.90 CA1 (0.50) ACE2CA1LMNAFFAR1FFAR4
SCHEMBL5076634 0.90 CA1 (0.50) ACE2CA1LMNAFFAR1FFAR4
SCHEMBL3063652 0.90 CA1 (0.50) ACE2CA1LMNAFFAR1FFAR4
SCHEMBL9576128 0.90 CA1 (0.50) ACE2CA1LMNAFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292251-B1 Aromatic polyester composition and process for producing the same TORAY INDUSTRIES (JP) 1993-11-24 EP disclosed
US-4879328-A MOLDING MATERIALS TORAY INDUSTRIES (JP) 1989-11-07 US disclosed
EP-0292251-A2 Aromatic polyester composition and process for producing the same TORAY INDUSTRIES, INC. (JP) 1988-11-23 EP disclosed