SCHEMBL29136201

SCHEMBL29136201

Bc1cc(C(F)(F)F)cc(C(F)(F)F)c1.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
IDO1 P14902 2/20 0.39
XPO1 O14980 1/20 0.36
ADRB1 P08588 1/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
MAPT P10636 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL3684529 0.97 CES2 (0.46) CES2IDO1XPO1ADRB1TSHR
SCHEMBL28802521 0.94 CES2 (0.44) CES2IDO1XPO1ADRB1TSHR
Water SCHEMBL27788452 0.94 CES2 (0.44) CES2IDO1XPO1ADRB1TSHR
SCHEMBL24038121 0.81 RXRA (0.44) CES2IDO1XPO1ADRB1RXRA
SCHEMBL440959 0.80 CES2 (0.58) CES2IDO1XPO1ADRB1TSHR
SCHEMBL15943174 0.79 RAPGEF4 (0.41) CES2IDO1TSHRALDH1A1RAPGEF4
SCHEMBL14303165 0.79 CES2 (0.33) CES2IDO1
SCHEMBL10046161 0.79 TSHR (0.46) CES2IDO1TSHRALDH1A1MAPT
SCHEMBL2665686 0.79 RAPGEF4 (0.42) CES2XPO1MAPTRAPGEF4HDAC3
Tromethamine SCHEMBL7762678 0.78 LMNA (0.40) CES2IDO1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117003919-B Multifunctional macromolecular anti-aging agent and preparation method and application thereof 广东省科学院生物与医学工程研究所 2024-05-31 CN claimed
CN-117003919-A Multifunctional macromolecular anti-aging agent and preparation method and application thereof 广东省科学院生物与医学工程研究所 2023-11-07 CN claimed
CN-117003919-B Multifunctional macromolecular anti-aging agent and preparation method and application thereof 广东省科学院生物与医学工程研究所 2024-05-31 CN disclosed
CN-117003919-A Multifunctional macromolecular anti-aging agent and preparation method and application thereof 广东省科学院生物与医学工程研究所 2023-11-07 CN disclosed