SCHEMBL8022645

SCHEMBL8022645

CC([O])CCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.47
CYP1A2 P05177 1/20 0.44
METAP2 P50579 1/20 0.38
SIGMAR1 Q99720 4/20 0.38
HPGD P15428 1/20 0.35
BCHE P06276 1/20 0.33

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
SCHEMBL8020384 0.98 METAP1 (0.44) METAP1CYP1A2METAP2SIGMAR1HPGD
SCHEMBL8020307 0.93
SCHEMBL1678614 0.87
SCHEMBL1524668 0.80 CYP1A2 (0.48) METAP1CYP1A2METAP2SIGMAR1BCHE
SCHEMBL436792 0.80 CYP1A2 (0.48) METAP1CYP1A2METAP2SIGMAR1BCHE
SCHEMBL9384040 0.80 CYP1A2 (0.48) METAP1CYP1A2METAP2SIGMAR1BCHE
SCHEMBL1338880 0.77 CYP1A2 (0.44) METAP1CYP1A2METAP2SIGMAR1
SCHEMBL24794912 0.76 CYP1A2 (0.44) METAP1CYP1A2METAP2SIGMAR1
SCHEMBL22229853 0.76 METAP1 (0.52) METAP1CYP1A2METAP2SIGMAR1HPGD
SCHEMBL8282831 0.76 CYP1A2 (0.44) METAP1CYP1A2METAP2SIGMAR1

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-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed