SCHEMBL7777453

SCHEMBL7777453

CC(C)(C)OC(=O)[C@@H]1O[C@H]1c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.37
ALOX15 P16050 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PDE5A O76074 1/20 0.36
HDAC4 P56524 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB1 P08183 1/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL7775621 1.00 TSHR (0.40) TSHRALDH1A1GAAMAPK1ALOX15
SCHEMBL30349456 0.83 ALDH1A1 (0.43) TSHRALDH1A1GAAALOX15HDAC4
SCHEMBL7777417 0.80 RXFP1 (0.40) TSHRALDH1A1GAARXFP1PDE5A
SCHEMBL3835892 0.80 RXFP1 (0.40) TSHRALDH1A1GAARXFP1PDE5A
SCHEMBL3835889 0.80 RXFP1 (0.40) TSHRALDH1A1GAARXFP1PDE5A
SCHEMBL3835893 0.80 RXFP1 (0.40) TSHRALDH1A1GAARXFP1PDE5A
SCHEMBL7772636 0.78 TSHR (0.61) TSHRALDH1A1MAPK1POLBABCB1
SCHEMBL16303826 0.78 TSHR (0.61) TSHRALDH1A1MAPK1POLBABCB1
SCHEMBL9488854 0.78 TSHR (0.61) TSHRALDH1A1MAPK1POLBABCB1
SCHEMBL7770452 0.78 TSHR (0.61) TSHRALDH1A1MAPK1POLBABCB1

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
EP-1127885-A2 Optically active epoxypropionate derivatives, intermediates, and processes for their production Tosoh Corporation (JP) 2001-08-29 EP disclosed