SCHEMBL11654753

SCHEMBL11654753

CCNN(Nc1ccc(OCC)c(S(=O)(=O)O)c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ FABP4 P15090 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASR P41180 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL11653494 0.74 HTT (0.40) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL11655806 0.73 KMT2A (0.40) LMNAHSD17B10MAPTMEN1KMT2A
SCHEMBL8912586 0.69 HSD17B10 (0.60) LMNAHSD17B10MAPTMEN1KMT2A
SCHEMBL11654759 0.69 HSD17B10 (0.57) LMNAHSD17B10MAPTMEN1KMT2A
SCHEMBL419398 0.68 HSD17B10 (0.54) HSD17B10MAPTALDH1A1CTDSP1L3MBTL1
SCHEMBL7908188 0.67 HSD17B10 (0.53) LMNAHSD17B10MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28058143 0.67 HSD17B10 (0.52) HSD17B10MAPTALDH1A1L3MBTL1
SCHEMBL4757504 0.67 HSD17B10 (0.52) HSD17B10MAPTALDH1A1L3MBTL1TSHR
SCHEMBL5677336 0.66 HSD17B10 (0.63) HSD17B10MAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28106647 0.65 GAA (0.57) LMNAMAPTMEN1KMT2AALDH1A1

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-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 — — US disclosed
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