SCHEMBL8736634

SCHEMBL8736634

OCC1(O)C=C(Br)C(c2ccccc2)C(I)=C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
ABCB1 P08183 3/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6058559 0.89 KDM1A (0.41) KDM1AABCB1ALDH1A1
SCHEMBL5608796 0.78 KDM1A (0.33) KDM1AABCB1
SCHEMBL8737332 0.77 KDM1A (0.33) KDM1AALDH1A1
SCHEMBL5608315 0.73 KDM1A (0.30) KDM1A
SCHEMBL8735355 0.64 MAPT (0.34)
SCHEMBL8735310 0.63 KDM1A (0.33) KDM1A
SCHEMBL7398947 0.60 KDM1A (0.39) KDM1AABCB1ALDH1A1
SCHEMBL9489237 0.58 KDM1A (0.44) KDM1AABCB1ALDH1A1
SCHEMBL8736494 0.57 KDM1A (0.33) KDM1AABCB1ALDH1A1
SCHEMBL15766930 0.53 KDM1A (1.00) KDM1A

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-0877607-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1998-11-18 EP disclosed
WO-1997027846-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1997-08-07 WO disclosed