SCHEMBL7093889

SCHEMBL7093889

C=C(C)C(=O)OC(CC)CCCCC.C=C(C=CC(=O)O)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HCAR2 Q8TDS4 3/20 0.35
ALDH1A1 P00352 1/20 0.34
CTSK P43235 3/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
GLS2 Q9UI32 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
SCHEMBL277936 0.88 HCAR2 (0.41) HCAR2CTSKACHEBACE1CTSL
SCHEMBL154112 0.84 TSHR (0.49) TSHRCTSKZDHHC7PRKCAPRKCD
SCHEMBL16333632 0.83 TSHR (0.40) TSHRHCAR2ALDH1A1
Acrylic Acid SCHEMBL8019011 0.83 TSHR (0.42) TSHRCTSKCTSLCTSBPRKCA
Methacrylic Acid SCHEMBL27315278 0.82 TSHR (0.45) TSHRCTSKPRKCAPRKCD
SCHEMBL28526610 0.82 TSHR (0.51) TSHRZDHHC7PRKCAPRKCD
SCHEMBL28132394 0.82 TSHR (0.51) TSHRZDHHC7PRKCAPRKCD
SCHEMBL27700983 0.82 TSHR (0.51) TSHRZDHHC7PRKCAPRKCD
SCHEMBL28697418 0.82 TSHR (0.51) TSHRZDHHC7PRKCAPRKCD
SCHEMBL27438589 0.82 TSHR (0.51) TSHRZDHHC7PRKCAPRKCD

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-6604819-B2 Ink jet image recording method FUJI PHOTO FILM CO., LTD. (JP) 2003-08-12 US disclosed