SCHEMBL9318873

SCHEMBL9318873

[CH2]C(O)CCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.47
CYP1A2 P05177 1/20 0.39
SIGMAR1 Q99720 2/20 0.37
HPGD P15428 1/20 0.35
METAP2 P50579 1/20 0.35
TP53 P04637 1/20 0.33
EPHX1 P07099 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
SCHEMBL2580715 0.80 METAP1 (0.50) METAP1CYP1A2SIGMAR1HPGDMETAP2
SCHEMBL7429602 0.80 METAP1 (0.50) METAP1CYP1A2SIGMAR1HPGDMETAP2
SCHEMBL13429375 0.76 METAP1 (0.47) METAP1CYP1A2SIGMAR1HPGDMETAP2
SCHEMBL7272902 0.76 METAP1 (0.47) METAP1CYP1A2SIGMAR1HPGDMETAP2
SCHEMBL6663470 0.76 METAP1 (0.47) METAP1CYP1A2SIGMAR1HPGDMETAP2
SCHEMBL5919195 0.76 CYP1A2 (0.44) METAP1CYP1A2SIGMAR1METAP2
SCHEMBL12321606 0.76 METAP1 (0.57) METAP1CYP1A2SIGMAR1METAP2TP53
SCHEMBL6934478 0.76 METAP1 (0.57) METAP1CYP1A2SIGMAR1METAP2TP53
SCHEMBL16306469 0.76 METAP1 (0.57) METAP1CYP1A2SIGMAR1METAP2TP53
SCHEMBL11692625 0.76 METAP1 (0.47) METAP1CYP1A2SIGMAR1HPGDMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6192160-A None JP disclosed
CN-101395154-B 8-azabicyclo [3.2.1] octane compounds as mu opioid receptor antagonists THERAVANCE INC 2011-01-19 CN disclosed
CN-101395154-A 8-azabicyclo [3.2.1] octane compounds as mu opioid receptor antagonists THERAVANCE INC (US) 2009-03-25 CN disclosed
JP-H06192160-A ZINGEROL DERIVATIVE AND CARDIOTONIC AGENT AND ENTEROKINESIS SUPPRESSING AGENT NKK CORP 1994-07-12 JP disclosed