SCHEMBL931400

SCHEMBL931400

CC(CCC1CCCCCCC1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.49
EPHX1 P07099 2/20 0.46
METAP2 P50579 1/20 0.43
ALOX5 P09917 2/20 0.40
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL13582 1.00 METAP1 (0.49) METAP1EPHX1METAP2ALOX5HPGD
SCHEMBL17590498 0.82 METAP1 (0.46) METAP1METAP2HPGDCYP1A2SIGMAR1
SCHEMBL6987701 0.82 METAP1 (0.46) METAP1METAP2HPGDCYP1A2SIGMAR1
SCHEMBL61275 0.82 METAP1 (0.46) METAP1METAP2HPGDCYP1A2SIGMAR1
SCHEMBL4793949 0.81 CPN1 (0.38) SIGMAR1
SCHEMBL370568 0.80 EPHX1 (0.49) EPHX1ALOX5
SCHEMBL9099 0.80 EPHX1 (0.49) EPHX1ALOX5
SCHEMBL13235909 0.80 METAP1 (0.43) METAP1EPHX1METAP2HPGDCYP1A2
SCHEMBL11410546 0.80 MAPT (0.40) METAP1EPHX1METAP2CYP1A2SIGMAR1
SCHEMBL13076173 0.79 METAP1 (0.43) METAP1EPHX1METAP2HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO claimed
WO-2011000945-A9 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-04-07 WO disclosed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO disclosed