SCHEMBL8637734

SCHEMBL8637734

CCN(CC)CCCOC(=O)c1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 4/20 0.69
▸ SCN2A Q99250 4/20 0.69
▸ SCN3A Q9NY46 4/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ TSHR P16473 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CYP3A4 P08684 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ CHRM2 P08172 3/20 0.51
▸ CHRM1 P11229 3/20 0.51
▸ CHRM3 P20309 3/20 0.51
▸ CHRM4 P08173 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ BCHE P06276 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ CHRM5 P08912 1/20 0.49
▸ ADRA2C P18825 1/20 0.49

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
SCHEMBL8644412 0.96 TDP1 (0.67) SCN1ASCN2ASCN3ATDP1TSHR
Detanosal SCHEMBL2110875 0.91 SCN1A (0.68) SCN1ASCN2ASCN3ATDP1TSHR
Detanosal SCHEMBL30397539 0.90 SCN1A (0.66) SCN1ASCN2ASCN3ATDP1TSHR
Detanosal SCHEMBL29163805 0.90 SCN1A (0.66) SCN1ASCN2ASCN3ATDP1TSHR
Detanosal SCHEMBL27797753 0.87 SCN1A (0.67) SCN1ASCN2ASCN3ATDP1TSHR
SCHEMBL8642191 0.85 TDP1 (0.73) SCN1ASCN2ASCN3ATDP1TSHR
SCHEMBL9401308 0.84 TDP1 (0.62) SCN1ASCN2ASCN3ATDP1TSHR
2-Hydroxybenzoic Acid Butyl Ester SCHEMBL29421150 0.83 TSHR (0.80) TDP1TSHRL3MBTL1CYP3A4TP53
2-Hydroxybenzoic Acid Butyl Ester SCHEMBL62565 0.83 TSHR (0.80) TDP1TSHRL3MBTL1CYP3A4TP53
SCHEMBL12083356 0.82 TDP1 (1.00) TDP1TSHRL3MBTL1CYP3A4TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753407-A Polyamic acid composition KABUSHIKI KAISHA TOSHIBA (JP) 1998-05-19 — — US disclosed
US-5585217-A Polyamic acid composition KABUSHIKI KAISHA TOSHIBA (JP) 1996-12-17 — — US disclosed
US-4298603-A LOCAL ANESTHETICS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1981-11-03 — — US disclosed
EP-0031632-A1 O-Aminoalkylsalicylates, process for their preparation, and their pharmaceutical compositions INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1981-07-08 — — EP disclosed
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