SCHEMBL15322313

SCHEMBL15322313

C=Cc1ccc(C(=C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TAS1R3 Q7RTX0 3/20 0.38
▸ TAS1R1 Q7RTX1 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ ELANE P08246 1/20 0.37
▸ MIF P14174 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HDAC3 O15379 1/20 0.32

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
SCHEMBL9615322 0.88 TDP1 (0.46) MAPTTDP1ATMALDH1A1ELANE
SCHEMBL394001 0.81 CA1 (0.49) MAPTTDP1TAS1R3TAS1R1ALDH1A1
SCHEMBL29115834 0.81 TAS1R3 (0.47) MAPTTDP1TAS1R3TAS1R1ALDH1A1
SCHEMBL25383439 0.79 RAB9A (0.42) MAPTTDP1ATMALDH1A1ELANE
SCHEMBL3875454 0.79 TDP1 (0.58) MAPTTDP1ATMALDH1A1ELANE
SCHEMBL17449655 0.79 ALDH1A1 (0.42) MAPTTDP1TAS1R3TAS1R1ALDH1A1
SCHEMBL4224768 0.78 MAPT (0.51) MAPTTDP1ALDH1A1ELANERECQL
4-Vinylphenol SCHEMBL2475223 0.78 MIF (0.46) TDP1ALDH1A1MIFNPC1RECQL
Hydrochloric Acid SCHEMBL31332428 0.77 TDP1 (0.57) MAPTTDP1ATMALDH1A1ELANE
SCHEMBL4224773 0.77 CES2 (0.48) MAPTTDP1ATMALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2833926-A1 NEUROPHILIC NANOPARTICLES University of Florida Research Foundation, Inc. (US) 2015-02-11 — — EP disclosed
WO-2013151650-A1 NEUROPHILIC NANOPARTICLES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-10-10 — — WO disclosed
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