SCHEMBL5806972

SCHEMBL5806972

C=CCC(CC=C)(C(=O)O)C(=O)OC(C)CC

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.31
MAPT P10636 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
SCHEMBL3519696 0.94 KDM4E (0.31) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL15210045 0.88
SCHEMBL5820581 0.87
SCHEMBL9306468 0.82 ALDH1A1 (0.32) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL3531184 0.80 MAPT (0.34) ALDH1A1MAPT
SCHEMBL9550958 0.79 MAPT (0.33) MAPT
SCHEMBL2353120 0.77 MAPT (0.33) MAPT
SCHEMBL5819369 0.77 MMP8 (0.31) MAPT
SCHEMBL4424463 0.75 MEN1 (0.42) ALDH1A1KDM4ELMNAGAAHSD17B10
SCHEMBL819845 0.74 TSHR (0.36) LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006117800-A2 NOVEL 3, 4-PROPYLENEDIOXYTHIOPHENE DERIVATIVES WITH PENDANT FUNCTIONAL GROUPS INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2006-11-09 WO claimed
EP-2820027-B1 METATHESIS CATALYSTS CONTAINING ONIUM GROUPS APEIRON SYNTHESIS SA (PL) 2018-06-06 EP disclosed
US-9403860-B2 Metathesis catalysts containing onium groups APEIRON SYNTHESIS S.A. (PL) 2016-08-02 US disclosed
EP-2820027-A1 METATHESIS CATALYSTS CONTAINING ONIUM GROUPS Apeiron Synthesis S.A. (PL) 2015-01-07 EP disclosed
WO-2013127880-A1 METATHESIS CATALYSTS CONTAINING ONIUM GROUPS APEIRON SYNTHESIS SP. Z O.O. (PL) 2013-09-06 WO disclosed
WO-2006117800-A2 NOVEL 3, 4-PROPYLENEDIOXYTHIOPHENE DERIVATIVES WITH PENDANT FUNCTIONAL GROUPS INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2006-11-09 WO disclosed