SCHEMBL6987701

SCHEMBL6987701

CC(CCC1CCCCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.46
GABRR1 P24046 2/20 0.43
CYP1A2 P05177 2/20 0.43
METAP2 P50579 1/20 0.40
HPGD P15428 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL61275 1.00 METAP1 (0.46) METAP1GABRR1CYP1A2METAP2HPGD
SCHEMBL17590498 1.00 METAP1 (0.46) METAP1GABRR1CYP1A2METAP2HPGD
SCHEMBL27488750 0.91 ACE2 (0.44) METAP1GABRR1CYP1A2METAP2HPGD
SCHEMBL6156004 0.89 CYP1A2 (0.45) METAP1GABRR1CYP1A2SIGMAR1BLM
SCHEMBL27486952 0.89 ACE2 (0.46) METAP1GABRR1CYP1A2METAP2SLC1A3
SCHEMBL18050478 0.89 CYP1A2 (0.45) METAP1GABRR1CYP1A2SIGMAR1BLM
SCHEMBL27601862 0.85 METAP1 (0.41) METAP1METAP2HPGDSLC1A3SLC1A2
SCHEMBL28740646 0.85 ACE2 (0.46) METAP1GABRR1CYP1A2SLC1A3SLC1A2
SCHEMBL27602009 0.83 METAP1 (0.39) METAP1GABRR1CYP1A2METAP2BLM
SCHEMBL931400 0.82 METAP1 (0.49) METAP1CYP1A2METAP2HPGDSIGMAR1

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
EP-1324974-A2 DRUGS FOR DIABETES Nicox S.A. (FR) 2003-07-09 EP disclosed
WO-2002030867-A2 DRUGS FOR DIABETES NICOX S.A. (FR) 2002-04-18 WO disclosed