SCHEMBL9728387

SCHEMBL9728387

COCC(C)n1nnn(-c2c(C(C)C)cccc2C(C)C)c1=S

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ANPEP P15144 2/20 0.35
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
HCAR3 P49019 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASR P41180 1/20 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
SCHEMBL9728180 0.81 DPP4 (0.42) DPP4NR1H2NR1H3ANPEPALOX15
SCHEMBL9728918 0.77 ALDH1A1 (0.46) DPP4NR1H2NR1H3ANPEPALOX15
SCHEMBL9728307 0.73 TSHR (0.50) DPP4NR1H2NR1H3ANPEPALOX15
SCHEMBL9728643 0.73 DPP4 (0.39) DPP4NR1H2NR1H3ANPEPALOX15
SCHEMBL9729305 0.69 TSHR (0.37) DPP4NR1H2NR1H3ANPEPALOX15
SCHEMBL9728013 0.68 DPP4 (0.34) DPP4NR1H2NR1H3ANPEPALOX15
SCHEMBL9728553 0.66 DPP4 (0.42) DPP4NR1H2NR1H3ANPEPALOX15
SCHEMBL9728689 0.66 BCL2 (0.33) TSHRALDH1A1
SCHEMBL9728241 0.66 DPP4 (0.37) DPP4NR1H2NR1H3ANPEPALOX15
SCHEMBL9728711 0.64 TSHR (0.46) DPP4NR1H2NR1H3ANPEPALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0406163-A1 Thioxotetrazolines CIBA-GEIGY AG (CH) 1991-01-02 EP claimed
US-5138068-A Pesticide CIBA-GEIGY CORPORATION (US) 1992-08-11 US disclosed
US-5066667-A Controlling insects and arachnids CIBA-GEIGY CORPORATION (US) 1991-11-19 US disclosed
EP-0406163-A1 Thioxotetrazolines CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed