SCHEMBL4755474

SCHEMBL4755474

N#CC1(CC(=O)O)C[C@H](Cc2ccccc2)[C@@H](Cc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
CTSC P53634 2/20 0.39
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
GBA1 P04062 1/20 0.36
LTB4R Q15722 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
AKR1B1 P15121 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM1A O60341 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4755477 1.00 HSD11B1 (0.39) HSD11B1CTSCMAPTKDM4ELMNA
SCHEMBL4755475 1.00 HSD11B1 (0.39) HSD11B1CTSCMAPTKDM4ELMNA
SCHEMBL4755521 0.74 USP2 (0.42) HSD11B1LMNAGBA1LTB4RLTB4R2
SCHEMBL5445647 0.74 USP2 (0.42) HSD11B1LMNAGBA1LTB4RLTB4R2
SCHEMBL4755518 0.74 USP2 (0.42) HSD11B1LMNAGBA1LTB4RLTB4R2
SCHEMBL4755526 0.74 USP2 (0.42) HSD11B1LMNAGBA1LTB4RLTB4R2
SCHEMBL4754114 0.74 HSD11B1 (0.40) HSD11B1MAPTHTT
SCHEMBL4756989 0.72 POLB (0.33) CTSCMAPTKDM4EMEN1KMT2A
SCHEMBL4756985 0.72 POLB (0.33) CTSCMAPTKDM4EMEN1KMT2A
SCHEMBL4756195 0.71 HSD11B1 (0.38) HSD11B1MAPTAKR1B1HTT

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