SCHEMBL7436823

SCHEMBL7436823

COc1cc(C(O)C(=O)O)ccc1OCCCCl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
BLM P54132 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
FDPS P14324 3/20 0.52
ACHE P22303 1/20 0.49
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
LDHA P00338 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11257010 0.84 TSHR (0.63) TSHRBLMNPSR1FDPSACHE
SCHEMBL11256995 0.84 TSHR (0.63) TSHRBLMNPSR1FDPSACHE
SCHEMBL187138 0.83 NPSR1 (0.75) TSHRBLMNPSR1FDPSACHE
SCHEMBL187137 0.83 NPSR1 (0.75) TSHRBLMNPSR1FDPSACHE
SCHEMBL7437597 0.83 HPGD (0.48) FDPSACHEALDH1A1POLBSMN1; SMN2
SCHEMBL7437591 0.83 HPGD (0.48) FDPSACHEALDH1A1POLBSMN1; SMN2
SCHEMBL1766008 0.82 FDPS (0.54) NPSR1FDPSALDH1A1L3MBTL1PPARA
SCHEMBL10007596 0.82 FDPS (0.50) FDPSALDH1A1L3MBTL1POLBKDM4E
SCHEMBL7886610 0.81 FDPS (0.52) NPSR1FDPSACHEALDH1A1PPARA
SCHEMBL5092331 0.78 BLM (0.51) TSHRBLMNPSR1FDPSACHE

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-5070087-A Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl) aminoheterocyclics as cardiovascular, anthihistaminic, antisecretory and antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1991-12-03 US disclosed