SCHEMBL13137019

SCHEMBL13137019

CCC(CC(C)(CCC(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR2 Q92731 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36
CCR5 P51681 1/20 0.35
TSHR P16473 1/20 0.35
RIPK1 Q13546 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL12082215 0.79 APAF1 (0.42) MAPTGABBR2GABBR1LMNAPOLB
SCHEMBL15868611 0.78 MAPT (0.44) MAPTGABBR2GABBR1LMNAPOLB
SCHEMBL3056333 0.74 GABBR2 (0.47) MAPTGABBR2GABBR1LMNAPOLB
SCHEMBL3756089 0.74 ALDH1A1 (0.41) ALDH1A1ESR1CYP3A4ESR2NAALAD2
SCHEMBL6294907 0.73 LMNA (0.41) MAPTGABBR2GABBR1LMNAPOLB
SCHEMBL3380559 0.72 MAPT (0.36) MAPTGABBR2GABBR1POLBALDH1A1
SCHEMBL214563 0.72 LMNA (0.47) MAPTGABBR2GABBR1LMNAPOLB
SCHEMBL28053820 0.72 LMNA (0.40) MAPTGABBR2GABBR1LMNAPOLB
SCHEMBL1616269 0.71 MAPT (0.44) MAPTLMNAPOLBALDH1A1TSHR
SCHEMBL15957862 0.71 HDAC8 (0.44) MAPTALDH1A1ESR1ESR2CCR5

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-20100222497-A1 BINDERS FOR PIGMENTED INK FORMULATIONS DOUMAUX HOWARD A 2010-09-02 US disclosed