SCHEMBL9802263

SCHEMBL9802263

C=C(C)C(=O)Oc1ccc(C(O)C(=O)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.64
CES2 O00748 2/20 0.56
CES1 P23141 2/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.44
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PAX8 Q06710 1/20 0.43
ATM Q13315 1/20 0.43
CYP3A4 P08684 1/20 0.41
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9802271 0.94 ELANE (0.64) ELANECES2CES1LMNAALDH1A1
SCHEMBL21504942 0.89 ELANE (0.52) ELANECES2CES1LMNAALDH1A1
SCHEMBL9802822 0.85 ELANE (0.52) ELANECES2CES1LMNAALDH1A1
SCHEMBL9802818 0.85 ELANE (0.52) ELANECES2CES1LMNAALDH1A1
SCHEMBL10707039 0.83 ELANE (0.55) ELANELMNAALDH1A1HPGDKMT2A
Benzoin SCHEMBL11787509 0.82 LMNA (0.64) ELANECES2CES1LMNAALDH1A1
Benzoin SCHEMBL11786930 0.80 LMNA (0.75) CES2CES1LMNAALDH1A1KDM4E
Benzoin SCHEMBL812299 0.80 LMNA (0.75) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL12412503 0.80 ELANE (0.49) ELANECES2CES1ALDH1A1KMT2A
Benzoin SCHEMBL458525 0.79 LMNA (0.68) ELANECES2CES1LMNAALDH1A1

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