SCHEMBL15083642

SCHEMBL15083642

C=C(C)C(=O)OC1CC(C(=C)C)CCC1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CES2 O00748 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
SCHEMBL20485491 0.86 TSHR (0.41) ALOX15TSHRCES2
SCHEMBL31042235 0.86 TSHR (0.41) ALOX15TSHRCES2
SCHEMBL20485456 0.86 TSHR (0.41) ALOX15TSHRCES2
SCHEMBL29674 0.86 TSHR (0.41) ALOX15TSHRCES2
SCHEMBL20485460 0.86 TSHR (0.41) ALOX15TSHRCES2
SCHEMBL31042234 0.86 TSHR (0.41) ALOX15TSHRCES2
Acetic Acid SCHEMBL17629457 0.83 TSHR (0.40) ALOX15TSHRCES2
SCHEMBL8775683 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL20485482 0.81 ALOX15 (0.33) ALOX15TSHRCES2
SCHEMBL14764059 0.81 CHRM2 (0.42) ALOX15TSHRCES2

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
WO-2013099998-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, COMPOUND, AND METHOD FOR PRODUCING COMPOUND JSR株式会社 (JP) 2013-07-04 WO disclosed