SCHEMBL15822604

SCHEMBL15822604

O=C(OO)C(O)C1CCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.33
THRB P10828 1/20 0.32
METAP2 P50579 2/20 0.30
METAP1 P53582 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
SCHEMBL15821270 0.95 EPHX1 (0.38) EPHX1THRBMETAP2METAP1
SCHEMBL15820587 0.93 EPHX1 (0.41) EPHX1METAP2METAP1
SCHEMBL28755738 0.79 THRB (0.46) THRB
SCHEMBL11117724 0.78 EPHX1 (0.39) EPHX1THRB
SCHEMBL21694414 0.77 EPHX1 (0.44) EPHX1METAP2METAP1
SCHEMBL5407976 0.76 ALDH1A1 (0.46) THRB
SCHEMBL14045008 0.74 THRB (0.46) EPHX1THRB
SCHEMBL3996792 0.73 TP53 (0.47) EPHX1THRB
SCHEMBL6592409 0.73 TP53 (0.47) EPHX1THRB
SCHEMBL16837724 0.72

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
WO-2014099171-A1 PREPARATION OF TRIALKYLINDIUM COMPOUNDS AND TRIALKYLGALLIUM COMPOUNDS ALBEMARLE CORPORATION (US) 2014-06-26 WO disclosed