SCHEMBL28370855

SCHEMBL28370855

Cc1cc(C=O)ccc1OC(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.46
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 7/20 0.44
AOX1 Q06278 1/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
TRIM24 O15164 1/20 0.40
HPGD P15428 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40

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
SCHEMBL229580 0.83 FGFR1 (0.65) FGFR1ALDH1A1AOX1TSHRTRIM24
SCHEMBL29473914 0.83 FGFR1 (0.65) FGFR1ALDH1A1AOX1TSHRTRIM24
SCHEMBL17629454 0.83 FGFR1 (0.65) FGFR1ALDH1A1AOX1TSHRTRIM24
SCHEMBL30286001 0.83 ALDH1A1 (0.64) FGFR1ALOX15ALDH1A1AOX1TSHR
SCHEMBL2390994 0.81 ALDH1A1 (0.47) ALDH1A1AOX1TSHRMEN1KMT2A
SCHEMBL19640089 0.81 FGFR1 (0.44) FGFR1ALOX15ALDH1A1AOX1TSHR
SCHEMBL4645881 0.81 ALDH1A1 (0.44) ALDH1A1AOX1TSHRKMT2ATRIM24
Acetone SCHEMBL2878424 0.80 FGFR1 (0.62) FGFR1ALDH1A1AOX1TSHRTRIM24
SCHEMBL4645058 0.80 ALDH1A1 (0.46) ALDH1A1AOX1TSHRTRIM24HPGD
SCHEMBL21483407 0.80 L3MBTL1 (0.51) FGFR1ALOX15ALDH1A1MEN1KMT2A

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-110950837-A Preparation method of bilastine 上海天慈中商药业有限公司 2020-04-03 CN disclosed