SCHEMBL11520669

SCHEMBL11520669

C=CC(OC(C=C)(c1ccccc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)(c1ccccc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KCNN4 O15554 2/20 0.32

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
SCHEMBL7123831 0.82 TSHR (0.48) TSHRALDH1A1KCNN4
SCHEMBL2449393 0.70 TSHR (0.39) TSHRALDH1A1KCNN4
SCHEMBL29113996 0.70 TSHR (0.39) TSHRALDH1A1KCNN4
SCHEMBL11019163 0.70 MAPK1 (0.39) TSHRALDH1A1KCNN4
SCHEMBL10971745 0.69 ALDH1A1 (0.46) TSHRALDH1A1
SCHEMBL89302 0.68 TSHR (0.37) TSHRALDH1A1KCNN4
SCHEMBL25430781 0.67 ALDH1A1 (0.44) TSHRALDH1A1KCNN4
SCHEMBL8634589 0.66 KCNN4 (0.44) TSHRALDH1A1KCNN4
SCHEMBL15232972 0.65 MAPK1 (0.35) TSHRALDH1A1KCNN4
SCHEMBL89303 0.65 ALDH1A1 (0.35) TSHRALDH1A1KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4180680-A FRO THE HALO PHENOXIDE AND VINYLBENZYL CHLORIDE THE DOW CHEMICAL COMPANY (US) 1979-12-25 US disclosed