SCHEMBL8344947

SCHEMBL8344947

COC(=O)C[C@@]1(CN=C=O)C[C@H]2CC[C@H]2C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 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
SCHEMBL14559648 0.85 EPHX2 (0.32) ALDH1A1CYP3A4
SCHEMBL7617831 0.81 CYP1A2 (0.41)
SCHEMBL5909628 0.81 CYP1A2 (0.41)
SCHEMBL5909625 0.81 CYP1A2 (0.41)
SCHEMBL7344565 0.80 TSHR (0.33) ALDH1A1CYP3A4
SCHEMBL7337382 0.80 TSHR (0.33) ALDH1A1CYP3A4
SCHEMBL8348826 0.76 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL8348746 0.76 ALDH1A1 (0.31) ALDH1A1CYP3A4
Pd-217014 SCHEMBL29539699 0.76 TSHR (0.35) ALDH1A1
SCHEMBL14559637 0.76 CYP1A2 (0.46) ALDH1A1

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
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed