SCHEMBL28617522

SCHEMBL28617522

CC(F)CCOC(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ SCN1A P35498 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ RNASEL Q05823 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL17073088 0.81 MAPK1 (0.49) MAPK1PKMHSD17B10TSHRALDH1A1
SCHEMBL18541492 0.79 ALDH1A1 (0.66) MAPK1TSHRALDH1A1ESR1TDP1
SCHEMBL26901115 0.78 ALDH1A1 (0.51) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL7256727 0.76 ESR1 (0.68) MAPK1TSHRALDH1A1ESR1TDP1
SCHEMBL5122 0.75 CA1 (0.63) TSHRALDH1A1ESR1TDP1LMNA
SCHEMBL19214441 0.75 CA1 (0.61) PKMALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL1953298 0.75 MAPK1 (0.73) MAPK1PKMHSD17B10TSHRALDH1A1
SCHEMBL8297889 0.74 CYP2D6 (0.54) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL23926201 0.74 TSHR (0.53) MAPK1PKMHSD17B10TSHRALDH1A1
SCHEMBL23926219 0.73 MAPK1 (0.57) MAPK1PKMHSD17B10TSHRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113133969-B Glucose-responsive insulin multivesicular liposome and preparation method and application thereof 中国药科大学 2022-10-14 — — CN disclosed
CN-113133969-A Glucose-responsive insulin multivesicular liposome and preparation method and application thereof 中国药科大学 2021-07-20 — — CN disclosed
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