SCHEMBL7062448

SCHEMBL7062448

CCOC(=O)CC1CC(C)(C)CC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 5/20 0.38
TRPA1 O75762 1/20 0.38
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 3/20 0.34
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 2/20 0.33
EPHX2 P34913 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.32
MIF P14174 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 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
SCHEMBL4778443 0.86 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6618463 0.81 GAA (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13450933 0.81 GAA (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16710262 0.80 GAA (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL23824765 0.80 ALDH1A1 (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11046861 0.80 ALDH1A1 (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL23824768 0.78 ALDH1A1 (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6269261 0.78 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL25244259 0.76 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28356060 0.76 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1009732-B1 1-AMINO-ALKYLCYCLOHEXANE NMDA RECEPTOR ANTAGONISTS MERZ & CO GMBH & CO (DE) 2003-05-21 EP disclosed
EP-1009732-A2 1-AMINO-ALKYLCYCLOHEXANE NMDA RECEPTOR ANTAGONISTS MERZ + CO. GmbH & Co. (DE) 2000-06-21 EP disclosed
US-6071966-A ADMINISTERING TO LIVING ANIMAL 1-AMINOALKYLCYCLOHEXANE COMPOUND FOR ALLEVIATION OF CONDITION WHICH IS ALLEVIATED BY N-METHYL-D-ASPARTATE RECEPTOR ANTAGONIST, OR FOR ITS IMMUNOMODULATORY, ANTIMALARIAL, ANTI-BORNA VIRUS EFFECTS MERZ + CO. GMBH & CO. (DE) 2000-06-06 US disclosed
US-6034134-A 1-Amino-alkylcyclohexane NMDA receptor antagonists MERZ + CO. GMBH & CO. (DE) 2000-03-07 US disclosed
WO-1999001416-A2 1-AMINO-ALKYLCYCLOHEXANE NMDA RECEPTOR ANTAGONISTS MERZ + CO. GMBH & CO. (DE) 1999-01-14 WO disclosed