SCHEMBL11249019

SCHEMBL11249019

CN(Cc1ccccc1)C(C)(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 1/20 0.54
AOC3 Q16853 1/20 0.50
RIPK1 Q13546 2/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
MGLL Q99685 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL31481619 0.84 TSHR (0.56) TSHRALDH1A1AOC3RIPK1NR1H2
SCHEMBL1640061 0.82 TSHR (0.58) TSHRALDH1A1AOC3RIPK1NPC1
SCHEMBL20844585 0.78 AOC3 (0.56) TSHRALDH1A1AOC3RIPK1NPC1
SCHEMBL27258851 0.78 TSHR (0.54) TSHRALDH1A1AOC3RIPK1NR1H2
SCHEMBL19954207 0.77 TSHR (0.52) TSHRALDH1A1AOC3RIPK1NR1H2
SCHEMBL9303465 0.76 TSHR (0.47) TSHRALDH1A1AOC3RIPK1NR1H2
SCHEMBL5425401 0.76 ALDH1A1 (0.50) TSHRALDH1A1AOC3RIPK1NR1H2
SCHEMBL28273624 0.76 TSHR (0.56) TSHRALDH1A1AOC3NR1H2NR1H3
SCHEMBL23569534 0.75 TSHR (0.45) TSHRALDH1A1AOC3RIPK1NR1H2
SCHEMBL2198151 0.74 TSHR (0.48) TSHRALDH1A1AOC3RIPK1NR1H2

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
US-4347168-A ANIONIC, ALKOXYLATED NONIONIC AND QUATERNARY AMMONIUM CATIONIC SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1982-08-31 US disclosed
EP-0002084-A1 Granular detergent compositions for improved greasy soil removal THE PROCTER & GAMBLE COMPANY (US) 1979-05-30 EP disclosed