SCHEMBL8735355

SCHEMBL8735355

O=CC1(O)C=C(Br)C(c2ccccc2)C(Br)=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR2B P41595 1/20 0.34
HDAC4 P56524 3/20 0.31
HDAC3 O15379 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CA2 P00918 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8734945 0.79 MAPT (0.34) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL6058559 0.73 KDM1A (0.41) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL27659701 0.69 ALDH1A1 (0.33) LMNAMAPK1MEN1KMT2ACA2
SCHEMBL8736634 0.64 KDM1A (0.36)
SCHEMBL8737332 0.63 KDM1A (0.33) MAPTLMNAMEN1GAAKMT2A
SCHEMBL12054818 0.55 KDM1A (0.47)
Bromobenzene SCHEMBL22041640 0.55 ALDH1A1 (0.65) MAPTLMNAMAPK1MEN1NPC1
Bromobenzene SCHEMBL27288927 0.55 ALDH1A1 (0.65) MAPTLMNACYP1A2MAPK1MEN1
Hydroxyamine SCHEMBL1506235 0.55 MEN1 (0.46) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL23393891 0.54 CHRNA7 (0.44) LMNAMEN1KMT2ACA2

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