SCHEMBL9728918

SCHEMBL9728918

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
DPP4 P27487 3/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ANPEP P15144 2/20 0.34
C5AR1 P21730 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL9728307 0.86 TSHR (0.50) ALDH1A1TSHRALOX15DPP4NR1H2
SCHEMBL9729194 0.82 GABRA1 (0.33)
SCHEMBL9728387 0.77 DPP4 (0.36) ALDH1A1TSHRALOX15DPP4NR1H2
SCHEMBL9728180 0.77 DPP4 (0.42) ALDH1A1TSHRALOX15DPP4NR1H2
SCHEMBL9728711 0.76 TSHR (0.46) ALDH1A1TSHRALOX15DPP4NR1H2
SCHEMBL9728284 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9728643 0.75 DPP4 (0.39) ALDH1A1TSHRALOX15DPP4NR1H2
SCHEMBL9729305 0.69 TSHR (0.37) ALDH1A1TSHRALOX15DPP4NR1H2
SCHEMBL9728241 0.68 DPP4 (0.37) ALDH1A1TSHRALOX15DPP4NR1H2
SCHEMBL9728013 0.67 DPP4 (0.34) ALDH1A1TSHRALOX15DPP4NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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