Sugi Predict

Sugi Predict / Compounds / SCHEMBL8022396

SCHEMBL8022396

SCHEMBL8022396

CC(CCCC[O])C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.37
▸ EPHX1 P07099 4/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ MMP2 P08253 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ TP53 P04637 1/20 0.30
▸ CPB2 Q96IY4 1/20 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
SCHEMBL6303768 0.85 SHBG (0.41) SHBGEPHX1CA12CA1CA2
SCHEMBL1524833 0.83 SHBG (0.39) SHBGEPHX1TP53
SCHEMBL9204420 0.81 SHBG (0.43) SHBGEPHX1
SCHEMBL3421946 0.79 SHBG (0.41) SHBGEPHX1
SCHEMBL9213061 0.79 SHBG (0.41) SHBGEPHX1
SCHEMBL11677493 0.79 SHBG (0.41) SHBGEPHX1
SCHEMBL4490677 0.79 SHBG (0.41) SHBGEPHX1
SCHEMBL11085237 0.79 SHBG (0.41) SHBGEPHX1
SCHEMBL4723686 0.79 SHBG (0.41) SHBGEPHX1
SCHEMBL18098111 0.79 SHBG (0.37) SHBGEPHX1CA12CA1CA2

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