SCHEMBL3981828

SCHEMBL3981828

CC1(C)[C@@H]2CC3[C@@H](OC(=O)O)[C@@]3(C)C[C@@H]21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3990125 1.00 APLNR (0.32) APLNRALDH1A1MAPTMAPK1NPSR1
SCHEMBL3980462 0.72 APLNR (0.35) APLNR
SCHEMBL3984663 0.72 APLNR (0.35) APLNR
SCHEMBL3981825 0.72 APLNR (0.35) APLNR
SCHEMBL3984126 0.69 APLNR (0.31) APLNR
SCHEMBL10342515 0.69 APLNR (0.36) APLNR
SCHEMBL11097199 0.69 APLNR (0.36) APLNR
SCHEMBL3981778 0.67
SCHEMBL13240196 0.67
SCHEMBL3989824 0.67 UGT2B7 (0.36) APLNR

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-1562575-B1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LAB (US) 2009-05-20 EP claimed