SCHEMBL9871295

SCHEMBL9871295

COC(=O)C1CCc2cc(C(=O)Cn3ccnc3)sc2C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.55
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
ALPG P10696 2/20 0.37
ALPI P09923 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PLAA Q9Y263 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SRD5A2 P31213 2/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL9835122 0.89 TBXAS1 (0.70) TBXAS1ALDH1A1GAAALPGALPI
SCHEMBL9834133 0.83 TBXAS1 (0.78) TBXAS1ALDH1A1GAAPDE4BPDE4D
SCHEMBL9835790 0.82 TBXAS1 (0.79) TBXAS1ALDH1A1GAAPDE4BPDE4D
SCHEMBL9834927 0.76 TBXAS1 (0.80) TBXAS1ALDH1A1GAACYP19A1
SCHEMBL9836336 0.75 TBXAS1 (0.78) TBXAS1ALDH1A1GAAPDE4BPDE4D
SCHEMBL9834707 0.73 TBXAS1 (0.48) TBXAS1ALDH1A1GAA
SCHEMBL9835177 0.72 TBXAS1 (0.53) TBXAS1ALDH1A1GAAPDE4BPDE4D
SCHEMBL9837142 0.71 TBXAS1 (1.00) TBXAS1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9836713 0.70 TBXAS1 (0.98) TBXAS1ALDH1A1GAA
SCHEMBL9835495 0.70 TBXAS1 (0.80) TBXAS1ALDH1A1GAACYP19A1

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-5021444-A Anticoagulants SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US disclosed