SCHEMBL7776997

SCHEMBL7776997

C=CC[C@@H]1C(=O)[C@H]2CC[C@@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.38
CTRC Q99895 2/20 0.38
F2 P00734 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL7776998 1.00 PRSS1 (0.38) PRSS1CTRCF2ALDH1A1
SCHEMBL24586795 1.00 PRSS1 (0.38) PRSS1CTRCF2ALDH1A1
SCHEMBL27193636 0.81 FAAH (0.32) ALDH1A1
SCHEMBL26934648 0.81 FAAH (0.32) ALDH1A1
SCHEMBL8779995 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8779993 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL24587183 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11773282 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL14721191 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9875593 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623678-B1 Norbornane type ester hydrolase SHIONOGI & CO (JP) 2001-10-04 EP disclosed
EP-0528694-B1 Method for producing optically active 3-substituted-2-norbornanones and their intermediates CHISSO CORP (JP) 1997-04-09 EP disclosed
US-5484725-A Norbornane type ester hydrolase from Acetobacter pasteurianus SHIONOGI & CO., LTD. (JP) 1996-01-16 US disclosed
EP-0623678-A2 Norbornane type ester hydrolase SHIONOGI & CO., LTD. (JP) 1994-11-09 EP disclosed
US-5266728-A Method for producing optically active 3-substituted-2-norbornanones and their intermediates CHISSO CORPORATION (JP) 1993-11-30 US disclosed
EP-0528694-A2 Method for producing optically active 3-substituted-2-norbornanones and their intermediates CHISSO CORPORATION (JP) 1993-02-24 EP disclosed