SCHEMBL29088472

SCHEMBL29088472

CC(=Cc1ccc(C2(C)OCCO2)s1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.43
AKR1C3 P42330 1/20 0.39
RXRA P19793 3/20 0.34
RXRB P28702 3/20 0.34
RXRG P48443 3/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
RARA P10276 1/20 0.34
PRSS1 P07477 1/20 0.34
TMPRSS15 P98073 1/20 0.34
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
NR4A2 P43354 1/20 0.31
APEX1 P27695 7/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL855403 0.77 KDM4E (0.38) ALDH1A1MAPTHPGDKMT2A
SCHEMBL2922217 0.75 MAPT (0.49) TBXAS1AKR1C3PRSS1TMPRSS15APEX1
SCHEMBL2922214 0.75 MAPT (0.49) TBXAS1AKR1C3PRSS1TMPRSS15APEX1
SCHEMBL29088405 0.74 RARB (0.35) TBXAS1AKR1C3RXRARXRBRXRG
SCHEMBL29088435 0.74 RXRA (0.36) TBXAS1AKR1C3RXRARXRBRXRG
SCHEMBL22870263 0.72 CA12 (0.39) HCAR2ALDH1A1MAPTHPGDKMT2A
SCHEMBL1705828 0.70 HPGD (0.41) HCAR3HCAR2APEX1ALDH1A1MAPT
SCHEMBL29088394 0.70 KMT2A (0.39) AKR1C3RXRARXRBRXRGPRSS1
SCHEMBL7799437 0.68 PKM (0.49) TBXAS1AKR1C3PRSS1TMPRSS15APEX1
SCHEMBL29600076 0.68 LMNA (0.43) RXRAALDH1A1HPGDTDP1

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-116669744-A Nrf2 activating compounds 千寿制药株式会社 2023-08-29 CN disclosed