SCHEMBL28790908

SCHEMBL28790908

CC(=CC(C)C)C(=O)OCCO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 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
SCHEMBL7035394 0.86 TSHR (0.36) TSHRALDH1A1ACHE
SCHEMBL28313742 0.82 ALDH1A1 (0.31) TSHRALDH1A1MAPT
SCHEMBL7087958 0.81 ALDH1A1 (0.50) TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL28040661 0.79 ACHE (0.36) TSHRACHE
SCHEMBL28049970 0.79 TSHR (0.34) TSHR
SCHEMBL5076122 0.79 GLO1 (0.47) TSHRALDH1A1MAPTSMN1; SMN2ALOX15
SCHEMBL5076118 0.79 GLO1 (0.47) TSHRALDH1A1MAPTSMN1; SMN2ALOX15
SCHEMBL15637 0.79 TSHR (0.43) TSHRALDH1A1ACHE
SCHEMBL285423 0.79 TSHR (0.43) TSHRALDH1A1ACHE
SCHEMBL28569697 0.79 TSHR (0.43) TSHRALDH1A1ACHE

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
CN-101981510-A Detergent for removing plasma etching residues ANJI MICROELECTRONICS SHANGHAI 2011-02-23 CN disclosed