SCHEMBL28490203

SCHEMBL28490203

CCCCCCCCON(OCCCCCCCC)OCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
THRB P10828 2/20 0.47
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
CA1 P00915 8/20 0.41
CA2 P00918 8/20 0.41
CA9 Q16790 7/20 0.41
LPAR3 Q9UBY5 6/20 0.41
LPAR2 Q9HBW0 5/20 0.41
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 3/20 0.41
LPAR1 Q92633 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41

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
SCHEMBL29139111 0.94 THRB (0.39) TSHRTHRBALDH1A1MEN1HTT
SCHEMBL29139112 0.85 ADRB2 (0.43) TSHRTHRBALDH1A1CA1CA2
Bromide SCHEMBL27815559 0.85 THRB (0.38) TSHRTHRBALDH1A1MEN1HTT
Dodecane SCHEMBL11481051 0.81 MEN1 (0.54) TSHRTHRBALDH1A1MEN1HTT
SCHEMBL14874595 0.80 CA12 (0.48) TSHRTHRBMEN1HTTKMT2A
SCHEMBL21114427 0.80 CA12 (0.48) TSHRTHRBMEN1HTTKMT2A
SCHEMBL29065831 0.80 CA12 (0.48) TSHRTHRBMEN1HTTKMT2A
SCHEMBL11705765 0.80 CA12 (0.48) TSHRTHRBMEN1HTTKMT2A
SCHEMBL1864784 0.80 CA12 (0.48) TSHRTHRBMEN1HTTKMT2A
SCHEMBL10407022 0.80 CA12 (0.48) TSHRTHRBMEN1HTTKMT2A

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-111849369-A Surface protection film and optical member 日东电工株式会社 2020-10-30 CN disclosed