SCHEMBL8631472

SCHEMBL8631472

CC1=C(C=CC(C)OC(=O)OC(=O)O)C(C)(C)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 1/20 0.32
TRPA1 O75762 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
SCHEMBL8631467 0.94 MAPT (0.46) MAPTALOX15CYP1A2TRPA1
SCHEMBL9201507 0.85 MAPT (0.43) MAPTALOX15TRPA1
SCHEMBL10413440 0.85 MAPT (0.50) MAPTALOX15CYP1A2TRPA1
SCHEMBL10413442 0.85 MAPT (0.50) MAPTALOX15CYP1A2TRPA1
SCHEMBL10413561 0.81 MAPT (0.43) MAPTALOX15TRPA1
SCHEMBL10412591 0.81 MAPT (0.46) MAPTALOX15CYP1A2TRPA1
SCHEMBL10412590 0.81 MAPT (0.46) MAPTALOX15CYP1A2TRPA1
SCHEMBL10413563 0.81 MAPT (0.43) MAPTALOX15TRPA1
SCHEMBL10412592 0.81 MAPT (0.46) MAPTALOX15CYP1A2TRPA1
SCHEMBL10412587 0.78 MAPT (0.41) MAPTALOX15TRPA1

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-5750758-A DEHYDRATION OF CARBONIC ACID CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-05-12 US disclosed