SCHEMBL10595114

SCHEMBL10595114

CCC(C(=O)O)=C(NC(N)=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 3/20 0.43
▸ CES2 O00748 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 3/20 0.39

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
SCHEMBL1273132 0.82 CES1 (0.46) CES1CES2ALDH1A1LMNAMAPT
SCHEMBL1273131 0.82 CES1 (0.46) CES1CES2ALDH1A1LMNAMAPT
SCHEMBL3858962 0.79 ALDH1A1 (0.50) CES1CES2ALDH1A1MAPTL3MBTL1
SCHEMBL11145663 0.79 MAPT (0.56) CES1CES2ALDH1A1LMNAMAPT
SCHEMBL6666603 0.78 CES1 (0.48) CES1CES2ALDH1A1LMNAMAPT
SCHEMBL4613506 0.76 CES2 (0.50) CES1CES2MAPTL3MBTL1SMN1; SMN2
Propionamide SCHEMBL27567530 0.75 ALDH1A1 (0.56) CES1CES2ALDH1A1LMNAMAPT
SCHEMBL5698374 0.74 CES1 (0.52) CES1CES2ALDH1A1LMNAMAPT
Benzoic Acid SCHEMBL11306418 0.74 TSHR (0.61) CES1CES2ALDH1A1LMNAMAPT
SCHEMBL8518683 0.74 MAPT (0.50) CES1CES2ALDH1A1LMNAMAPT

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
US-4855282-A Recording material and method for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1989-08-08 — — US disclosed
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