SCHEMBL19997571

SCHEMBL19997571

CCC(C)C(C)Oc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.49
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SLC6A4 P31645 1/20 0.44
KMT2A Q03164 2/20 0.43
GRM5 P41594 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.40
PNMT P11086 1/20 0.40
WDR5 P61964 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
SCHEMBL19697151 0.86 OGG1 (0.49) OGG1ALDH1A1MAPTSLC6A4KMT2A
SCHEMBL10249607 0.82 OGG1 (0.51) OGG1ALDH1A1MAPTSLC6A4KMT2A
SCHEMBL17032600 0.82 OGG1 (0.54) OGG1ALDH1A1MAPTSLC6A4KMT2A
SCHEMBL21394757 0.79 OGG1 (0.55) OGG1ALDH1A1MAPTSLC6A4KMT2A
SCHEMBL105734 0.77 OGG1 (0.57) OGG1ALDH1A1MAPTSLC6A4KMT2A
SCHEMBL5649989 0.77 LMNA (0.41) ALDH1A1MAPTSLC6A4KDM4E
SCHEMBL10549386 0.77 OGG1 (0.50) OGG1ALDH1A1MAPTSLC6A4KMT2A
SCHEMBL9870144 0.77 OGG1 (0.53) OGG1ALDH1A1MAPTSLC6A4KMT2A
SCHEMBL4192025 0.76 OGG1 (0.49) OGG1ALDH1A1MAPTSLC6A4KMT2A
SCHEMBL19405290 0.76 OGG1 (0.49) OGG1ALDH1A1MAPTSLC6A4KMT2A

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-9926285-B2 Allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2018-03-27 US disclosed