SCHEMBL28185342

SCHEMBL28185342

CCCC(=O)OC1Cc2cccc3cccc1c23

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.55
MTNR1B P49286 12/20 0.55
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL10267902 0.81 MTNR1A (0.52) MTNR1AMTNR1BKDM4E
SCHEMBL2740796 0.79 MTNR1A (0.46) MTNR1AMTNR1BKDM4E
SCHEMBL30718540 0.79 MTNR1A (0.46) MTNR1AMTNR1BKDM4E
SCHEMBL18826331 0.79 MTNR1A (0.47) MTNR1AMTNR1BKDM4E
SCHEMBL16943708 0.79 MTNR1A (0.50) MTNR1AMTNR1BKDM4E
SCHEMBL21117245 0.79 MTNR1A (0.46) MTNR1AMTNR1BKDM4E
SCHEMBL9891429 0.78 MTNR1A (0.41) MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL9610299 0.78 MTNR1A (0.44) MTNR1AMTNR1BKDM4E
SCHEMBL20306559 0.77 MTNR1A (0.48) MTNR1AMTNR1BKDM4E
SCHEMBL2776949 0.77 MTNR1A (0.48) MTNR1AMTNR1BKDM4E

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-107417632-A A kind of preparation method of Inorganic whisker titanium dioxide quantum dot and its application in tumour cell image checking 河南师范大学 2017-12-01 CN disclosed