SCHEMBL10359299

SCHEMBL10359299

C[C@@]1(CC(=O)O)CCC(=O)[C@H]2O[C@H]21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30

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
SCHEMBL10359236 0.84 IMPDH1 (0.36) —
SCHEMBL10359555 0.84 IMPDH1 (0.36) —
SCHEMBL10359313 0.82 PTGS1 (0.34) TSHRALDH1A1
SCHEMBL10359420 0.78 — —
SCHEMBL10359312 0.78 — —
SCHEMBL10359821 0.72 PRKCA (0.37) —
SCHEMBL10360128 0.72 PRKCA (0.37) —
SCHEMBL14291719 0.71 CYP3A4 (0.31) CYP3A4
SCHEMBL17453508 0.71 CYP3A4 (0.31) CYP3A4
SCHEMBL2240425 0.71 CYP3A4 (0.31) CYP3A4

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-0213547-B1 CYCLOHEXANEALKANOIC ACIDS MERRELL DOW PHARMACEUTICALS INC. (US) 1990-12-27 — — EP claimed
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