SCHEMBL7539010

SCHEMBL7539010

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 8/20 0.54
MMP1 P03956 3/20 0.54
GRIK1 P39086 1/20 0.54
MMP2 P08253 12/20 0.49
MMP9 P14780 1/20 0.49
MMP14 P50281 1/20 0.49
POLB P06746 1/20 0.49
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL13481207 0.89 TSHR (0.57) MAPK1SMN1; SMN2
SCHEMBL20363288 0.87 POLB (0.50) MMP3MMP1GRIK1MMP2POLB
SCHEMBL7005900 0.81 TRPV1 (0.49) SLC6A3
SCHEMBL29035343 0.81 FOLH1 (0.60) HDAC3HDAC1HDAC8HDAC6
SCHEMBL16673066 0.80 FAAH (0.49) MMP3MMP1MMP2MMP9POLB
SCHEMBL1856639 0.80 GRIK1 (0.72) MMP3MMP1GRIK1MMP2MMP9
SCHEMBL66965 0.78 CYP1A2 (0.55) POLB
SCHEMBL15426321 0.78 CYP1A2 (0.55) POLB
SCHEMBL3544881 0.77 GRIK1 (0.59) GRIK1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL3252245 0.77 GRIK1 (0.51) GRIK1HDAC3MAPK1ADRA1AHDAC4

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed