SCHEMBL8733740

SCHEMBL8733740

CCC(O)C1(O)C=C(Cl)C(c2ccccc2)C(Cl)=C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
SLC18A3 Q16572 2/20 0.33
KDM1A O60341 8/20 0.33
MAOA P21397 8/20 0.33
MAOB P27338 8/20 0.33
ADORA3 P0DMS8 1/20 0.31
AOC3 Q16853 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TRPA1 O75762 1/20 0.30
EPHX1 P07099 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
SCHEMBL4113896 0.62 LMNA (0.37) LMNASLC18A3KDM1AMAOAMAOB
SCHEMBL1838207 0.61 SLC9A1 (0.35) KDM1AMAOAMAOBADORA3KDM4E
SCHEMBL28495176 0.60 LMNA (0.42) LMNAMAOAMAOBAOC3TRPA1
SCHEMBL4112725 0.59 EPHX1 (0.56) LMNASLC18A3TRPA1EPHX1
SCHEMBL11959995 0.59 EPHX1 (0.56) LMNASLC18A3TRPA1EPHX1
SCHEMBL11981349 0.59 EPHX1 (0.56) LMNASLC18A3TRPA1EPHX1
Phenol SCHEMBL11850258 0.58 TDP1 (0.52) LMNAADORA3AOC3TRPA1
Phenylpropanol SCHEMBL27340941 0.58 LMNA (0.91) LMNAAOC3KDM4E
SCHEMBL18533592 0.58 SMN1; SMN2 (0.42) LMNASLC18A3KDM1AMAOAMAOB
SCHEMBL3377292 0.57 LMNA (0.38) LMNATRPA1

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