SCHEMBL9682559

SCHEMBL9682559

O=CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
TAAR1 Q96RJ0 3/20 0.43
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GPR88 Q9GZN0 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
PAX8 Q06710 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL9682564 1.00 HTT (0.46) HTTTAAR1MAPTRAB9ALMNA
SCHEMBL9682555 1.00 HTT (0.46) HTTTAAR1MAPTRAB9ALMNA
SCHEMBL14398146 0.85 HTT (0.45) HTTRAB9AALDH1A1GPR88MEN1
SCHEMBL8303697 0.82 HTT (0.61) HTTMAPTRAB9ALMNAALDH1A1
SCHEMBL7267865 0.79 HDAC1 (0.45) HTTTAAR1MAPTRAB9ALMNA
SCHEMBL7275871 0.79 HDAC1 (0.45) HTTTAAR1MAPTRAB9ALMNA
SCHEMBL7266946 0.79 HDAC1 (0.45) HTTTAAR1MAPTRAB9ALMNA
SCHEMBL7266949 0.79 HDAC1 (0.45) HTTTAAR1MAPTRAB9ALMNA
SCHEMBL7267858 0.79 HDAC1 (0.45) HTTTAAR1MAPTRAB9ALMNA
SCHEMBL7267957 0.78 KDM4E (0.44) HTTTAAR1MAPTRAB9ALMNA

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-5095137-A Hypotensives LABORATORI GUIDOTTI SPA (IT) 1992-03-10 US disclosed