SCHEMBL6820039

SCHEMBL6820039

CC[C@H]1CC[C@H]2[C@@H]3CC(C)C4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
CYP19A1 P11511 4/20 0.34
NR1H4 Q96RI1 1/20 0.33
CYP3A4 P08684 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL5757821 0.84 SHBG (0.41) GRIN1GRIN2BCYP19A1NR1H4CYP3A4
SCHEMBL5261842 0.84 SHBG (0.41) GRIN1GRIN2BCYP19A1NR1H4CYP3A4
SCHEMBL11417541 0.84 SHBG (0.41) GRIN1GRIN2BCYP19A1NR1H4CYP3A4
SCHEMBL11660824 0.82 GRIN2D (0.39) GRIN1GRIN2BCYP19A1CYP3A4
SCHEMBL6262886 0.79 CYP19A1 (0.49) CYP19A1CYP3A4GPBAR1
SCHEMBL6262894 0.79 CYP19A1 (0.49) CYP19A1CYP3A4GPBAR1
SCHEMBL6349934 0.79 CYP19A1 (0.49) CYP19A1CYP3A4GPBAR1
SCHEMBL8639692 0.78 GRIN1 (0.40) GRIN1GRIN2BCYP19A1CYP3A4
SCHEMBL7878122 0.78 GRIN1 (0.40) GRIN1GRIN2BCYP19A1CYP3A4
SCHEMBL10710831 0.77 GRIN1 (0.38) GRIN1GRIN2BCYP19A1

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
EP-1020477-B1 POLYHYDROXYSPIROSTANNONES AS PLANT GROWTH REGULATORS COLL MANCHADO FRANCISCO (CU) 2004-06-30 EP disclosed