SCHEMBL11058752

SCHEMBL11058752

C=C(C)CC1C(C)=CC(=O)CC1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11060621 0.75 NOS3 (0.35) ALDH1A1MAPK1L3MBTL1
SCHEMBL11062735 0.70 ALDH1A1 (0.31) ALDH1A1MAPK1
SCHEMBL11062730 0.70 ALDH1A1 (0.31) ALDH1A1MAPK1
SCHEMBL21616457 0.68 ALDH1A1 (0.39) ALDH1A1MAPK1POLBL3MBTL1
SCHEMBL11066152 0.67
SCHEMBL2507037 0.65
SCHEMBL15295671 0.65 ALDH1A1 (0.49) ALDH1A1MAPK1POLBL3MBTL1
SCHEMBL11123016 0.62 ALDH1A1 (0.33) ALDH1A1MAPK1
SCHEMBL22390695 0.62
SCHEMBL10385805 0.61

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
US-4432378-A ORGANOLEPTIC; TOBACCO; FOODS; DETERGENTS; COSMETICS FRITZSCHE, DODGE & OLCOTT, INC. (US) 1984-02-21 US disclosed
US-4326996-A FOR PERFUMES FRITZSCHE DODGE & OLCOTT INC. (US) 1982-04-27 US disclosed