SCHEMBL9802818

SCHEMBL9802818

C=C(C)C(=O)Oc1cccc(C(O)C(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.52
CES2 O00748 3/20 0.51
CES1 P23141 2/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
PTGS1 P23219 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 1/20 0.37
CYP1A2 P05177 1/20 0.37
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 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
SCHEMBL9802822 0.92 ELANE (0.52) ELANECES2CES1LMNAALDH1A1
SCHEMBL9802263 0.85 ELANE (0.64) ELANECES2CES1LMNAALDH1A1
SCHEMBL9802271 0.85 ELANE (0.64) ELANECES2CES1LMNAALDH1A1
SCHEMBL8622126 0.80 CES2 (0.61) CES2CES1LMNAL3MBTL1SMN1; SMN2
Benzoin SCHEMBL11787509 0.79 LMNA (0.64) ELANECES2CES1LMNAALDH1A1
SCHEMBL28295176 0.79 ACHE (0.47) ELANELMNAALDH1A1KDM4ECYP3A4
SCHEMBL11125373 0.77 ELANE (0.60) ELANEALDH1A1L3MBTL1TDP1MEN1
SCHEMBL346386 0.77 ELANE (0.59) ELANECES2CES1LMNATDP1
Benzoin SCHEMBL812299 0.77 LMNA (0.75) CES2CES1LMNAALDH1A1KDM4E
Benzoin SCHEMBL11786930 0.77 LMNA (0.75) CES2CES1LMNAALDH1A1KDM4E

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-4985198-A (METH)ACRYLOYLOXYBENZOIC ACID POLYMERS G-C DENTAL INDUSTRIAL CORP. (JP) 1991-01-15 US disclosed