SCHEMBL29100306

SCHEMBL29100306

CCC=CC(=O)OCCCCCCCCO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
HCAR2 Q8TDS4 3/20 0.51
APP P05067 6/20 0.50
ACHE P22303 6/20 0.45
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL29100271 1.00 ATM (0.52) ATMHCAR2APPACHETSHR
SCHEMBL29100317 1.00 ATM (0.52) ATMHCAR2APPACHETSHR
SCHEMBL29100287 1.00 ATM (0.52) ATMHCAR2APPACHETSHR
SCHEMBL29100280 1.00 ATM (0.52) ATMHCAR2APPACHETSHR
SCHEMBL9561799 0.87 HCAR2 (0.68) ATMHCAR2APPTSHRHPGD
SCHEMBL9111143 0.87 HCAR2 (0.68) ATMHCAR2APPTSHRHPGD
SCHEMBL28108181 0.87 HCAR2 (0.68) ATMHCAR2APPTSHRHPGD
SCHEMBL9561263 0.87 HCAR2 (0.68) ATMHCAR2APPTSHRHPGD
SCHEMBL27672601 0.85 HCAR2 (0.67) ATMHCAR2APPTSHRHPGD
SCHEMBL8150462 0.85 APP (0.53) ATMHCAR2APPACHETSHR

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-116924912-A Molecule for improving hair toughness and application thereof 江南大学 2023-10-24 CN claimed
CN-116924912-A Molecule for improving hair toughness and application thereof 江南大学 2023-10-24 CN disclosed