SCHEMBL8736550

SCHEMBL8736550

OCC1(O)C=CC(c2ccccc2)C(C(F)(F)F)=C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
KDM1A O60341 1/20 0.31

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
SCHEMBL8736494 0.77 KDM1A (0.33) KDM1A
SCHEMBL4658876 0.75 HTR2A (0.35) HTR2AHTR2CHTR2BKDM1A
SCHEMBL7398947 0.69 KDM1A (0.39) HTR2AHTR2CHTR2BKDM1A
SCHEMBL12987774 0.64 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL6058559 0.59 KDM1A (0.41) HTR2AHTR2CHTR2BKDM1A
SCHEMBL6678329 0.59 HDAC4 (0.31)
SCHEMBL6681681 0.58 HDAC4 (0.32)
SCHEMBL6677869 0.58 CACNA1D (0.31)
Methane SCHEMBL21996436 0.57
SCHEMBL746904 0.57 HTR2A (0.38) HTR2AHTR2CHTR2B

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 claimed
WO-1997027846-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1997-08-07 WO claimed