SCHEMBL4754117

SCHEMBL4754117

CCC1CC(C#N)(CC(=O)O)CC1CC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
CYP1A2 P05177 1/20 0.33
JAK2 O60674 1/20 0.31
S1PR4 O95977 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 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
SCHEMBL4754114 1.00 HSD11B1 (0.40) HSD11B1CYP1A2JAK2S1PR4MAPT
SCHEMBL4756191 0.86 HSD11B1 (0.38) HSD11B1CYP1A2JAK2S1PR4MAPT
SCHEMBL4756195 0.86 HSD11B1 (0.38) HSD11B1CYP1A2JAK2S1PR4MAPT
SCHEMBL4756992 0.81 HSD11B1 (0.42) HSD11B1CYP1A2PKM
SCHEMBL4085736 0.81 HSD11B1 (0.42) HSD11B1CYP1A2PKM
SCHEMBL4756189 0.79 HSD11B1 (0.41) HSD11B1CYP1A2
SCHEMBL4755477 0.74 HSD11B1 (0.39) HSD11B1MAPTHTT
SCHEMBL7552932 0.73
SCHEMBL2807409 0.70 HSD11B1 (0.41) HSD11B1CYP1A2
SCHEMBL2805815 0.70 CYP2C19 (0.45) HSD11B1CYP1A2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO claimed
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed