SCHEMBL3427890

SCHEMBL3427890

C=C(CCCC1(C)COC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
TBXAS1 P24557 1/20 0.30

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
SCHEMBL3462962 0.81 EPHX1 (0.43) EPHX1
SCHEMBL3081437 0.80 THRB (0.32) TBXAS1
SCHEMBL3426696 0.79 TBXAS1 (0.32) TBXAS1
SCHEMBL3431291 0.79 EPHX1 (0.32) EPHX1
SCHEMBL3430193 0.78 EPHX1 (0.32) EPHX1
SCHEMBL726325 0.77 EPHX1 (0.43) EPHX1
SCHEMBL3089380 0.75 THRB (0.34) TBXAS1
SCHEMBL849453 0.74 TSHR (0.46) EPHX1
SCHEMBL850112 0.74 TSHR (0.46) EPHX1
SCHEMBL3095025 0.74 THRB (0.30)

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-20100210801-A1 COPOLYMER DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-19 US disclosed