SCHEMBL9217564

SCHEMBL9217564

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nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
GABRR1 P24046 2/20 0.39
GABRR2 P28476 2/20 0.39
BLM P54132 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARA Q07869 1/20 0.36
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 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
SCHEMBL27704130 0.79
SCHEMBL1219183 0.79
SCHEMBL1809605 0.75 TSHR (0.61) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL3065185 0.72 TSHR (0.58) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL3065183 0.72 TSHR (0.58) TSHRGABRR1GABRR2BLMGABRR3
Ammonia Solution, Strong SCHEMBL38659341 0.72 TSHR (0.58) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL15848598 0.72 TSHR (0.46) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL7911535 0.71 PPARA (0.41) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL3504406 0.71 PPARA (0.59) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL3504409 0.71 PPARA (0.59) TSHRGABRR1GABRR2BLMGABRR3

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-0449099-B1 Retinoide derivatives, their preparation and their use for medicaments HOFFMANN LA ROCHE (CH) 1995-11-29 EP claimed