SCHEMBL29596272

SCHEMBL29596272

Oc1ccc2c(c1)C(O)(O)CC=C2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.35
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PDK2 Q15119 1/20 0.32
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL8360707 1.00 PTPRC (0.35) PTPRCESR1ESR2PDK2DRD2
SCHEMBL30373791 0.85 ESR1 (0.34) PTPRCESR1ESR2PDK2DRD2
SCHEMBL17363094 0.76 PTPRC (0.37) PTPRCPDK2OPRM1
SCHEMBL556904 0.74 KDM4E (0.36) PDK2
SCHEMBL5821944 0.73 PTPRC (0.30) PTPRC
SCHEMBL660907 0.72
SCHEMBL30084674 0.70 PDK2 (0.33) PTPRCESR1ESR2PDK2
SCHEMBL10793705 0.70 ESR1 (0.33) PTPRCESR1ESR2PDK2
SCHEMBL29744451 0.67 PTGS1 (0.37) PTPRCESR1ESR2PDK2OPRM1
Oxalic Acid SCHEMBL29053840 0.67 THRB (0.36)

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-114504519-A Composition for bleaching hair, kit for bleaching hair, and kit for bleaching and dyeing hair 株式会社资生堂 2022-05-17 CN disclosed