SCHEMBL9769966

SCHEMBL9769966

CCC(C)(C)c1ccc(OCCCN[C]=O)cc1C(C)(C)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAOB P27338 5/20 0.34
HRH3 Q9Y5N1 5/20 0.34
POLB P06746 1/20 0.34
HTT P42858 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL6405622 0.79 MAPK1 (0.43) KDM4ELMNAALDH1A1MAOBHRH3
SCHEMBL1081181 0.76 MAPK1 (0.54) KDM4ELMNAALDH1A1HTTMAPK1
SCHEMBL9435739 0.75 MAPK1 (0.45) L3MBTL1KDM4ELMNAALDH1A1MAOB
SCHEMBL77092 0.73 MAPK1 (0.56) KDM4ELMNAALDH1A1MAOBHRH3
SCHEMBL8403390 0.72 SMN1; SMN2 (0.57) KDM4ELMNAALDH1A1HRH3POLB
SCHEMBL8403392 0.72 CNR2 (0.45) KDM4ELMNAALDH1A1MAOBHRH3
SCHEMBL19501619 0.70 L3MBTL1 (0.44) L3MBTL1KDM4EALDH1A1MAOBHRH3
SCHEMBL8749576 0.70 ALDH1A1 (0.39) L3MBTL1KDM4ELMNAALDH1A1HTT
SCHEMBL19501921 0.68 PDIA6 (0.42) MAOBHRH3HTTMAPK1NPSR1
SCHEMBL9519087 0.68 GAA (0.46) L3MBTL1ALDH1A1CA12CA1CA2

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-4985336-A Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-15 US disclosed