SCHEMBL8632398

SCHEMBL8632398

NC(=O)CCCCC1=CC2CCC1C2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
KMT2A Q03164 1/20 0.32
TARDBP Q13148 1/20 0.32
TBXAS1 P24557 1/20 0.31
FFAR4 Q5NUL3 2/20 0.30

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
SCHEMBL1978763 0.84 CYP19A1 (0.31) CYP19A1
SCHEMBL15923143 0.78 CYP19A1 (0.33) CYP19A1
SCHEMBL28300098 0.77
SCHEMBL1978579 0.76
SCHEMBL797512 0.76 SPHK1 (0.38)
SCHEMBL152342 0.75 SPHK1 (0.41) TBXAS1
SCHEMBL5898950 0.75 SPHK1 (0.41) TBXAS1
SCHEMBL1011862 0.75 SPHK1 (0.41) TBXAS1
SCHEMBL155171 0.74 SPHK1 (0.33)
SCHEMBL145955 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811462-A (BICYCLO(2.2.1)HEPT-5'-EN-2'-YL-CARBONYL)AMINO-3-HYDROXY DERIVATIVES MERCK & CO., INC. (US) 1998-09-22 US disclosed