SCHEMBL7967972

SCHEMBL7967972

C(OCC1CO1)C1CO1.C=C(CC=CC(=O)O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9717942 0.87 ALDH1A1 (0.61) ALDH1A1TSHR
SCHEMBL7957132 0.87 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL7968913 0.86 ALDH1A1 (0.43) ALDH1A1
SCHEMBL1219539 0.83 ALDH1A1 (0.53) ALDH1A1
SCHEMBL7967703 0.83 SMN1; SMN2 (0.44) ALDH1A1TSHRSMN1; SMN2
SCHEMBL239948 0.82 HCAR2 (0.40) ALDH1A1TSHR
SCHEMBL7966822 0.78 HCAR2 (0.42)
SCHEMBL28128087 0.78 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1SMN1; SMN2
Butadiene SCHEMBL11340927 0.78 HCAR2 (0.36) ALDH1A1TSHR
1,1-Dichloroethene SCHEMBL7050642 0.78 HCAR2 (0.36) ALDH1A1TSHR

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-6180691-B1 MIXING AN INK VEHICLE, A COLORANT AND A LATEX CONTAINING A POLYMER WITH EPOXY GROUPS, WHICH IS GENERATED BY POLYMERIZING A MIXTURE OF OLEFINIC MONOMERS AND AN UNSATURATED MONOMER CONTAINING EPOXIDE IN PRESENCE OF ANIONIC/NONIONIC XEROX CORPORATION 2001-01-30 US disclosed