SCHEMBL11233773

SCHEMBL11233773

Cc1ccc(Oc2cc(C)cc(C)c2C)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
HTR1A P08908 2/20 0.43
HTR3A P46098 2/20 0.43
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL9487992 0.88 KMT2A (0.42) ACHEALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL31666386 0.87 HTR1A (0.50) ACHEHTR1AHTR3AGAAALDH1A1
SCHEMBL9487712 0.87 ALDH1A1 (0.41) ACHEHTR1AGAAALDH1A1SMN1; SMN2
SCHEMBL4950654 0.87 HTR1A (0.50) ACHEHTR1AHTR3AGAAALDH1A1
SCHEMBL7194319 0.85 ACHE (0.39) ACHEHTR1AHTR3AGAASMN1; SMN2
Water SCHEMBL11254873 0.84 ALDH1A1 (0.40) ACHEHTR1AGAAALDH1A1SMN1; SMN2
SCHEMBL9487868 0.82 MEN1 (0.47) HTR1AHTR3AALDH1A1SMN1; SMN2LMNA
SCHEMBL15890433 0.78 ACHE (0.43) ACHEHTR1AHTR3AGAAALDH1A1
SCHEMBL12415270 0.78 ACHE (0.43) ACHEHTR1AHTR3AGAAALDH1A1
SCHEMBL9487718 0.78 ALDH1A1 (0.44) GAAALDH1A1SMN1; SMN2LMNAMAPT

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
US-4341526-A Levelling agent and process of levelling for the disperse dyeing of hydrophobic materials MOBAY CHEMICAL CORPORATION (US) 1982-07-27 US disclosed