SCHEMBL7379802

SCHEMBL7379802

CCN1CCC(C(=O)OC(C)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
HSD11B1 P28845 3/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 6/20 0.39
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL10516690 0.81 SMN1; SMN2 (0.60) SMN1; SMN2HSD11B1MAPTALDH1A1GAA
SCHEMBL20300145 0.81 SMN1; SMN2 (0.51) SMN1; SMN2HSD11B1MAPTALDH1A1GAA
SCHEMBL5094316 0.79
SCHEMBL6990807 0.79 MAPT (0.62) SMN1; SMN2MAPTALDH1A1GAACYP3A4
SCHEMBL12156678 0.78 SMN1; SMN2 (0.67) SMN1; SMN2HSD11B1
SCHEMBL26030610 0.78 SMN1; SMN2 (0.56) SMN1; SMN2HSD11B1MAPTALDH1A1GAA
SCHEMBL28492260 0.77 ALDH1A1 (0.47) SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL7749087 0.76 SMN1; SMN2 (0.55) SMN1; SMN2HSD11B1MAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL28671520 0.76 SMN1; SMN2 (0.55) SMN1; SMN2HSD11B1MAPTALDH1A1KDM4E
SCHEMBL26477236 0.76 SMN1; SMN2 (0.55) SMN1; SMN2HSD11B1MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed
EP-0885213-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-04-28 EP disclosed
EP-0885213-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 EP disclosed
WO-1997025323-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed