SCHEMBL9011445

SCHEMBL9011445

C=CCOC(=O)CCCCC(=O)O.C=CCOC(=O)CCCCCCCCC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.70
ABCC4 O15439 1/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
EPHX2 P34913 1/20 0.47
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PAM P19021 2/20 0.44
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 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
SCHEMBL530482 1.00 TSHR (0.70) TSHRABCC4MAPTALDH1A1GAA
SCHEMBL14533033 1.00 TSHR (0.70) TSHRABCC4MAPTALDH1A1GAA
SCHEMBL2249400 1.00 TSHR (0.70) TSHRABCC4MAPTALDH1A1GAA
SCHEMBL11763281 1.00 TSHR (0.70) TSHRABCC4MAPTALDH1A1GAA
SCHEMBL87404 0.98 TSHR (0.67) TSHRABCC4MAPTALDH1A1GAA
Ethylene SCHEMBL28109697 0.96 TSHR (0.65) TSHRABCC4MAPTALDH1A1GAA
SCHEMBL2824126 0.94 TSHR (0.61) TSHRABCC4MAPTALDH1A1GAA
SCHEMBL180289 0.92 TSHR (0.81) TSHRABCC4MAPTALDH1A1GAA
SCHEMBL11795597 0.92 TSHR (0.81) TSHRABCC4MAPTALDH1A1GAA
SCHEMBL5392962 0.92 TSHR (0.81) TSHRABCC4MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494169-B1 Process for the preparation of charged thermosetting polyurethane compositions and homogeneous and stable suspensions of the charge JAYMO S N C (FR) 1996-11-13 EP claimed