SCHEMBL9511961

SCHEMBL9511961

CCCCCCC(C)Oc1ccc(-c2ccc(O)cc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 14/20 0.43
ESR2 Q92731 1/20 0.41
RARB P10826 2/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
FAAH O00519 2/20 0.38
CNR1 P21554 2/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL6936499 1.00 MGLL (0.43) MGLLESR2RARBRARARARG
SCHEMBL9152281 0.89 KIF11 (0.40) MGLLESR2PDE4APDE4BPDE4C
SCHEMBL16218456 0.88 MGLL (0.39) MGLLRARBRARARARGPDE4A
SCHEMBL10331188 0.86 RARB (0.47) MGLLRARBRARARARGPDE4A
SCHEMBL12036689 0.86 RARB (0.53) RARBRARARARGPDE4APDE4B
SCHEMBL9229170 0.86 RARB (0.53) RARBRARARARGPDE4APDE4B
SCHEMBL9510882 0.85 PDE4A (0.44) MGLLRARBRARARARGPDE4A
SCHEMBL9149323 0.85 PDE4A (0.54) RARBRARARARGPDE4APDE4B
SCHEMBL9150233 0.85 PDE4A (0.44) MGLLRARBRARARARGPDE4A
SCHEMBL9512028 0.85 RARB (0.46) RARBRARAFAAH

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-0272115-B1 OPTICALLY ACTIVE LIQUID CRYSTALLINE BIPHENYL COMPOUND Chisso Corporation (JP) 1993-10-13 EP disclosed
US-4737313-A OPITICALLY ACTIVE CHISSO CORPORATION (JP) 1988-04-12 US disclosed