SCHEMBL20748490

SCHEMBL20748490

C=C/C=C\C(C)=C/C(=C)c1cc(C(=O)OI)c[nH]1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 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
SCHEMBL20748511 0.85 NOTUM (0.39)
SCHEMBL20748604 0.81 BRD4 (0.41) ALDH1A1BAZ2BBAZ2A
SCHEMBL20748481 0.71 NOTUM (0.41) BAZ2BBAZ2A
SCHEMBL20748517 0.67
SCHEMBL20748611 0.65 MEN1 (0.39) ALDH1A1
SCHEMBL20748619 0.64 EGLN1 (0.35) ALDH1A1
SCHEMBL20748646 0.63 ALDH1A1 (0.36) ALDH1A1
SCHEMBL20748631 0.59
SCHEMBL409737 0.58 BAZ2B (0.57) ALDH1A1BAZ2BBAZ2A
SCHEMBL70354 0.57 BAZ2B (0.71) ALDH1A1BAZ2BBAZ2A

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
EP-2473501-B1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN INC (US) 2019-02-20 EP disclosed