SCHEMBL7714812

SCHEMBL7714812

O=C(CCC(=O)CC1CC1)CC1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
EPHX1 P07099 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
ANPEP P15144 1/20 0.34
ENPEP Q07075 1/20 0.34
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
LMNA P02545 1/20 0.33
ALOX5 P09917 1/20 0.33
LIPA P38571 1/20 0.33
NAMPT P43490 1/20 0.32
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
SLC6A1 P30531 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31

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
SCHEMBL2032466 0.89 LMNA (0.45) ANPEPENPEPPLGPLATLMNA
SCHEMBL2483768 0.87 TDP1 (0.38) TDP1EPHX1HPGDKMT2AANPEP
SCHEMBL18647722 0.84
SCHEMBL2030903 0.80 LMNA (0.50) EPHX1HPGDKMT2ALMNASLC1A3
SCHEMBL1916162 0.78 LMNA (0.53) EPHX1HPGDKMT2ALMNASLC1A3
SCHEMBL9978409 0.78 KMT2A (0.48) TDP1KMT2A
SCHEMBL6203966 0.77
SCHEMBL18219144 0.77
SCHEMBL8618756 0.77
SCHEMBL8396188 0.77

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
US-6387885-B1 HORMONE INHIBITORS; CONTRACEPTIVES ABBOTT LABORATORIES 2002-05-14 US disclosed
WO-2000012521-A1 3', 3'-N-BIS-DESMETHYL-3'-N-CYCLOALKYL ERYTHROMYCIN DERIVATIVES AS LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2000-03-09 WO disclosed