SCHEMBL28616192

SCHEMBL28616192

CCCCOC(=O)c1ccc(B(O)O)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 3/20 0.48
CYP3A4 P08684 3/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 3/20 0.47
ESR1 P03372 3/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CYP2C9 P11712 1/20 0.42
PDE4D Q08499 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL28624131 0.95 TSHR (0.55) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL12502274 0.88 TSHR (0.49) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL29950690 0.85 CA12 (0.47) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL763540 0.85 CA12 (0.47) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL17912412 0.81 TSHR (0.58) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL13663882 0.81 TSHR (0.57) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL30622008 0.80 ATM (0.56) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL9850701 0.80 TSHR (0.55) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL8490256 0.80 TSHR (0.59) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL19762346 0.78 TSHR (0.53) TSHRTDP1L3MBTL1MAPK1CYP3A4

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