SCHEMBL172982

SCHEMBL172982

CC1(C)[C@@H]2C[C@@H](NC(=O)O)C[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
ATM Q13315 1/20 0.31
DPP4 P27487 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
SCHEMBL23573431 0.75 ATM (0.36) ATM
SCHEMBL4915983 0.72
SCHEMBL4915987 0.72
SCHEMBL8323981 0.71 MAPK1 (0.41) GRIN1GRIN2B
SCHEMBL1583705 0.70 APLNR (0.48) GRIN1GRIN2BTDP1
SCHEMBL15970268 0.70 ATM (0.34) ATM
SCHEMBL23826989 0.70 ATM (0.39) ATM
SCHEMBL15970415 0.70 ATM (0.34) ATM
SCHEMBL15970269 0.70 ATM (0.34) ATM
SCHEMBL23826990 0.70 ATM (0.39) ATM

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-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed