SCHEMBL7123831

SCHEMBL7123831

C=CC(OC(C=C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.37
KCNN4 O15554 4/20 0.36
KIF11 P52732 2/20 0.36
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.31
TRPV6 Q9H1D0 1/20 0.30
AKT1 P31749 1/20 0.30

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
SCHEMBL10971745 0.84 ALDH1A1 (0.46) TSHRALDH1A1MAPK1ALOX15HTT
SCHEMBL11520669 0.82 TSHR (0.37) TSHRALDH1A1KCNN4
SCHEMBL2449393 0.81 TSHR (0.39) TSHRALDH1A1MAPK1KCNN4ALOX15
SCHEMBL11019163 0.81 MAPK1 (0.39) TSHRALDH1A1MAPK1KCNN4ALOX15
SCHEMBL29113996 0.81 TSHR (0.39) TSHRALDH1A1MAPK1KCNN4KIF11
SCHEMBL89302 0.79 TSHR (0.37) TSHRALDH1A1MAPK1KCNN4ALOX15
SCHEMBL25430781 0.78 ALDH1A1 (0.44) TSHRALDH1A1MAPK1KCNN4ALOX15
SCHEMBL89303 0.76 ALDH1A1 (0.35) TSHRALDH1A1MAPK1KCNN4ALOX15
SCHEMBL4560379 0.76 ALDH1A1 (0.35) TSHRALDH1A1MAPK1KCNN4ALOX15
SCHEMBL15232972 0.76 MAPK1 (0.35) TSHRALDH1A1MAPK1KCNN4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065089-A1 Aqueous dispersion in a formulation for floor adhesives ATOFINA (FR) 2003-04-03 US disclosed
US-4761358-A Electrostatographic encapsulated toner FUJI PHOTO FILM CO., LTD. (JP) 1988-08-02 US disclosed
US-4191705-A Process for the preparation of carbonic acid esters of polyester-polyols BAYER AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed