SCHEMBL5458068

SCHEMBL5458068

CC(/C=C/c1ccccc1)CO

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
CYP1A2 P05177 1/20 0.44
AHR P35869 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 1/20 0.41
MAOB P27338 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5458073 1.00 HTR2A (0.46) HTR2ACYP1A2AHRMEN1KMT2A
SCHEMBL7554085 1.00 HTR2A (0.46) HTR2ACYP1A2AHRMEN1KMT2A
SCHEMBL7551917 0.84 HTR2A (0.47) HTR2ACYP1A2AHRMEN1KMT2A
SCHEMBL7554416 0.84 HTR2A (0.47) HTR2ACYP1A2AHRMEN1KMT2A
SCHEMBL7551925 0.84 HTR2A (0.47) HTR2ACYP1A2AHRMEN1KMT2A
SCHEMBL489023 0.81 MEN1 (0.50) HTR2ACYP1A2AHRMEN1KMT2A
SCHEMBL16874337 0.81 MEN1 (0.50) HTR2ACYP1A2AHRMEN1KMT2A
SCHEMBL1829731 0.79 HTR2A (0.50) HTR2ACYP1A2AHRMEN1KMT2A
SCHEMBL28383627 0.79 MEN1 (0.49) HTR2ACYP1A2AHRMEN1KMT2A
SCHEMBL1829732 0.79 HTR2A (0.50) HTR2ACYP1A2AHRMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167587-A1 Process for producing polymer with functional end KURARAY CO., LTD. (JP) 2007-07-19 US disclosed
EP-1721912-A1 PROCESS FOR PRODUCING POLYMER WITH FUNCTIONAL END KURARAY CO., LTD. (JP) 2006-11-15 EP disclosed
EP-0950652-B1 Cis-configurational unsaturated ester, process for producing the same, and fragrance composition containing the same KURARAY CO (JP) 2002-07-03 EP disclosed
US-6159928-A Cis-configurational unsaturated ester, process for producing the same, and fragrance composition containing the same KURARAY CO., LTD. (JP) 2000-12-12 US disclosed
EP-0950652-A1 Cis-configurational unsaturated ester, process for producing the same, and fragrance composition containing the same KURARAY CO., LTD. (JP) 1999-10-20 EP disclosed