SCHEMBL9401304

SCHEMBL9401304

CCCCN(CCCC)C(C)OC(=O)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.50
▸ TDP1 Q9NUW8 3/20 0.45
▸ TSHR P16473 4/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ NAAA Q02083 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ SCN1A P35498 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
Hydrochloric Acid SCHEMBL29163806 0.85 LMNA (0.50) LMNATDP1TSHRALDH1A1L3MBTL1
SCHEMBL2471464 0.85 LMNA (0.50) LMNATDP1TSHRALDH1A1L3MBTL1
SCHEMBL16552783 0.83 ALDH1A1 (0.40) LMNATDP1TSHRALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL15392160 0.83 ALDH1A1 (0.40) LMNATDP1TSHRALDH1A1L3MBTL1
Acetic Acid SCHEMBL27797755 0.82 SCN1A (0.47) LMNATDP1TSHRALDH1A1L3MBTL1
SCHEMBL16552784 0.82 PTGS2 (0.49) LMNATDP1TSHRALDH1A1KDM4E
Hydrochloric Acid SCHEMBL15392163 0.82 PTGS2 (0.49) LMNATDP1TSHRALDH1A1KDM4E
SCHEMBL11148948 0.81 LMNA (0.46) LMNATSHRALDH1A1L3MBTL1TP53
SCHEMBL10789528 0.78 ALDH1A1 (0.66) LMNATDP1TSHRALDH1A1NAAA
SCHEMBL30010658 0.78 ALDH1A1 (0.66) LMNATDP1TSHRALDH1A1NAAA

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-5292413-A Catholyte for the Karl Fischer coulometric water determination RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1994-03-08 — — US disclosed
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