SCHEMBL2931779

SCHEMBL2931779

CCCCC(=Cc1ccc(O)c(OC)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.57
MAPT P10636 4/20 0.55
KDM4E B2RXH2 2/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA3 P07451 2/20 0.51
PKM P14618 2/20 0.51
CA4 P22748 2/20 0.51
CA6 P23280 2/20 0.51
CA5A P35218 2/20 0.51
SNCA P37840 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA5B Q9Y2D0 2/20 0.51
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51

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
SCHEMBL10635812 1.00 HTR1A (0.57) HTR1AMAPTKDM4ECA12CA1
SCHEMBL10610974 0.95 HTR1A (0.61) HTR1AMAPTCYP2C9CYP1A2CYP2D6
SCHEMBL29484327 0.95 HTR1A (0.61) HTR1AMAPTCYP2C9CYP1A2CYP2D6
SCHEMBL10608581 0.95 HTR1A (0.61) HTR1AMAPTCYP2C9CYP1A2CYP2D6
SCHEMBL10632173 0.92 MAPT (0.57) HTR1AMAPTKDM4ECA12CA1
SCHEMBL10632168 0.92 MAPT (0.57) HTR1AMAPTKDM4ECA12CA1
SCHEMBL19127373 0.90 MAPT (0.55) HTR1AMAPTKDM4ECA12CA1
SCHEMBL10634893 0.88 ALDH1A1 (0.56) HTR1AMAPTKDM4EALDH1A1ALOX5
SCHEMBL10634898 0.88 ALDH1A1 (0.56) HTR1AMAPTKDM4EALDH1A1ALOX5
SCHEMBL19126962 0.87 MAPT (0.52) HTR1AMAPTKDM4ECA12CA1

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-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 US claimed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 EP claimed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
US-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 US disclosed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 EP disclosed