SCHEMBL2356098

SCHEMBL2356098

C=C(C(=O)O)c1ccc(CCCCCCCCCCCCCCC)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.67
THRB P10828 7/20 0.67
RARB P10826 5/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 1/20 0.64
RARA P10276 1/20 0.64
MAPT P10636 1/20 0.64
MTOR P42345 1/20 0.64
HAO1 Q9UJM8 1/20 0.63
PLA2G1B P04054 5/20 0.59
ATG4B Q9Y4P1 5/20 0.59
CYP1A2 P05177 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL10651489 1.00 THRA (0.67) THRATHRBRARBMEN1KMT2A
SCHEMBL2722720 1.00 THRA (0.67) THRATHRBRARBMEN1KMT2A
SCHEMBL5547984 1.00 THRA (0.67) THRATHRBRARBMEN1KMT2A
SCHEMBL28645496 0.93 RARB (0.62) THRATHRBRARBMEN1KMT2A
SCHEMBL13578977 0.90 THRA (0.55) THRATHRBRARBMEN1KMT2A
SCHEMBL7593906 0.86 THRB (0.57) THRATHRBRARBMEN1KMT2A
SCHEMBL2727957 0.85 THRA (0.65) THRATHRBRARBMEN1KMT2A
SCHEMBL2728042 0.85 THRA (0.65) THRATHRBRARBMEN1KMT2A
SCHEMBL2728746 0.85 THRA (0.65) THRATHRBRARBMEN1KMT2A
SCHEMBL763142 0.84 RARB (0.53) THRATHRBRARBMEN1KMT2A

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-20110189250-A1 GREEN APPROACH IN METAL NANOPARTICLE-EMBEDDED ANTIMICROBIAL COATINGS FROM VEGETABLE OILS AND OIL-BASED MATERIALS JOHN GEORGE 2011-08-04 US disclosed