SCHEMBL3252245

SCHEMBL3252245

CC(C)C(CCCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.51
KMT2A Q03164 3/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL7319532 0.93 MAPT (0.51) KMT2ACYP2D6CYP2C9CYP2C19LMNA
SCHEMBL584516 0.89 TSHR (0.54) KMT2ASMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL28014450 0.89 GRIK1 (0.57) GRIK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL18022845 0.88 GRIK1 (0.48) GRIK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL24252168 0.88 GRIK1 (0.50) GRIK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL6192793 0.88 GRIK1 (0.50) GRIK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL17510916 0.88 GRIK1 (0.50) GRIK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL4290341 0.88 GRIK1 (0.50) GRIK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL10399198 0.83 TBXAS1 (0.56)
SCHEMBL10399199 0.83 TBXAS1 (0.56)

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-1967080-B1 Non-aldehyde cinnamon flavor and delivery systems therefor CADBURY ADAMS USA LLC (US) 2010-06-02 EP claimed
US-5800897-A Air freshener composition containing a fiber pad EASTMAN CHEMICAL COMPANY (US) 1998-09-01 US disclosed
WO-1997026926-A1 AIR FRESHENER COMPOSITION CONTAINING A FIBER PAD EASTMAN CHEMICAL COMPANY (US) 1997-07-31 WO disclosed