SCHEMBL8998356

SCHEMBL8998356

CCC(C(=O)O)c1ccccc1N(CCO)CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PABPC1 P11940 1/20 0.47
▸ LMNA P02545 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL10411263 0.87 EGFR (0.40) MEN1KMT2APABPC1LMNAHSD17B10
SCHEMBL3663594 0.80 LMNA (0.37) MEN1KMT2ALMNAHSD17B10ALDH1A1
SCHEMBL9294341 0.74 KCNQ2 (0.53) MEN1KMT2ALMNAHSD17B10MAPT
SCHEMBL21409442 0.72 KMT2A (0.40) MEN1KMT2ALMNAHSD17B10MAPT
SCHEMBL1928791 0.72 ACP3 (0.43) MEN1KMT2ALMNAHSD17B10ALDH1A1
SCHEMBL4062734 0.72 LMNA (0.41) KMT2ALMNAHSD17B10ALDH1A1CYP1A2
SCHEMBL10580121 0.72 LMNA (0.41) MEN1KMT2ALMNAHSD17B10MAPT
SCHEMBL19946640 0.72 CRHBP (0.44) MEN1KMT2ALMNAHSD17B10BLM
SCHEMBL6773227 0.72 TSHR (0.57) LMNAHSD17B10ALDH1A1KDM4ECYP1A2
SCHEMBL4071095 0.72 TSHR (0.57) LMNAHSD17B10ALDH1A1KDM4ECYP1A2

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
EP-0725636-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1996-08-14 — — EP disclosed
WO-1995010272-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1995-04-20 — — WO disclosed
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