SCHEMBL4950381

SCHEMBL4950381

C=C(C)C(=O)OC(C)CC1CCO1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.37
CTSL P07711 2/20 0.31
CTSB P07858 2/20 0.31
CTSK P43235 2/20 0.31
CTSH P09668 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL970597 0.87 ALDH1A1 (0.54) ALDH1A1TSHRCTSLCTSBCTSK
SCHEMBL8393350 0.83 ALDH1A1 (0.42) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1238153 0.82 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL4952130 0.81 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL28864144 0.81 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL5473471 0.80 ALDH1A1 (0.35) ALDH1A1
SCHEMBL28545822 0.77 TSHR (0.37) TSHRCTSLCTSBCTSKCTSH
SCHEMBL28245297 0.76 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2A
SCHEMBL12430362 0.76 LMNA (0.40) ALDH1A1TSHRMEN1KMT2A
SCHEMBL3873437 0.75 TSHR (0.35) ALDH1A1TSHRCTSLCTSBCTSK

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-20080124456-A1 Inkjet ink and method for forming cured film using the same CHISSO CORPORATION 2008-05-29 US disclosed