SCHEMBL4385665

SCHEMBL4385665

CCC1CCC2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](CC)CC[C@@H]34)[C@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
GABRP O00591 9/20 0.36
GABRD O14764 9/20 0.36
GABRA1 P14867 9/20 0.36
GABRB1 P18505 9/20 0.36
GABRG2 P18507 9/20 0.36
GABRB3 P28472 9/20 0.36
GABRA5 P31644 9/20 0.36
GABRA3 P34903 9/20 0.36
GABRA2 P47869 9/20 0.36
GABRB2 P47870 9/20 0.36
GABRA4 P48169 9/20 0.36
GABRE P78334 9/20 0.36
GABRA6 Q16445 9/20 0.36
GABRG1 Q8N1C3 9/20 0.36
GABRG3 Q99928 9/20 0.36
GABRQ Q9UN88 9/20 0.36
SHBG P04278 1/20 0.36
CYP19A1 P11511 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
SCHEMBL28139742 0.82 GRIN1 (0.41) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL1173075 0.82 GRIN1 (0.41) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL19655773 0.82 GRIN1 (0.42) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL20326258 0.82 GRIN1 (0.42) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL22072807 0.80 GRIN1 (0.42) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL22072638 0.79 GABRP (0.46) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL5320301 0.78 GRIN1 (0.40) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL19242333 0.78 GABRA1 (0.45) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL19242421 0.78 GABRA1 (0.45) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL11578602 0.77 GRIN1 (0.39) GRIN1GRIN2BGABRPGABRDGABRA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1906969-A4 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDRENS MEDICAL CENTER (US) 2009-07-29 EP disclosed
EP-1906969-A2 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDREN'S MEDICAL CENTER CORPORATION (US) 2008-04-09 EP disclosed
WO-2007011926-A2 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDREN'S MEDICAL CENTER CORPORATION (US) 2007-01-25 WO disclosed