SCHEMBL28598588

SCHEMBL28598588

CC1(O)OCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
AVPR1A P37288 1/20 0.36

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
SCHEMBL28600721 0.78 SIGMAR1 (0.40) SIGMAR1AVPR1A
SCHEMBL2619379 0.78 HTR2A (0.41) HTR2ASIGMAR1
SCHEMBL30869312 0.78 HTR2A (0.41) HTR2ASIGMAR1
SCHEMBL18536429 0.75 HTR2A (0.38) HTR2ASIGMAR1
SCHEMBL17193910 0.75 HTR2A (0.39) HTR2ASIGMAR1
SCHEMBL15490739 0.73 HTR2A (0.37) HTR2ASIGMAR1
SCHEMBL25180103 0.72 HTR2A (0.36) MAPK1SMN1; SMN2HTR2A
SCHEMBL9721058 0.72 THRB (0.38) SMN1; SMN2AVPR1A
SCHEMBL18469496 0.72 HTR2A (0.36) HTR2A
SCHEMBL19839273 0.71 SIGMAR1 (0.41) SIGMAR1AVPR1A

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-113122062-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
CN-113122062-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed