SCHEMBL18800899

SCHEMBL18800899

CCCCCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCCCCCC)CNC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
HSD17B10 Q99714 1/20 0.38
GAA P10253 4/20 0.36
DNM1 Q05193 2/20 0.33

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
SCHEMBL18800876 1.00 TSHR (0.40) TSHRTHRBHSD17B10GAADNM1
SCHEMBL18800905 1.00 TSHR (0.40) TSHRTHRBHSD17B10GAADNM1
SCHEMBL11838574 0.90 HSD17B10 (0.45) TSHRTHRBHSD17B10GAA
SCHEMBL18197771 0.85 HSD17B10 (0.42) HSD17B10GAA
SCHEMBL22423629 0.82 TRPV1 (0.44) TSHRHSD17B10
SCHEMBL18800950 0.80 HTT (0.37) THRB
SCHEMBL15786649 0.80 HSD17B10 (0.42) HSD17B10GAA
SCHEMBL23996260 0.78 HSD17B10 (0.41) TSHRTHRBHSD17B10GAA
SCHEMBL19689040 0.78 HSD17B10 (0.41) TSHRTHRBHSD17B10GAA
SCHEMBL30150908 0.78 HSD17B10 (0.38) HSD17B10DNM1

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
EP-3162794-A1 CATIONIC LIPID Kyowa Hakko Kirin Co., Ltd. (JP) 2017-05-03 EP disclosed