SCHEMBL9753434

SCHEMBL9753434

COC(=O)[C@H]1CC[C@@H](O)C[C@H]1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.56
SLC6A4 P31645 9/20 0.56
SLC6A2 P23975 8/20 0.56
ATM Q13315 1/20 0.54

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
SCHEMBL14405112 0.91 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2ATM
SCHEMBL7226867 0.89 ATM (0.55) SLC6A3SLC6A4SLC6A2ATM
SCHEMBL6468821 0.89 ATM (0.55) SLC6A3SLC6A4SLC6A2ATM
SCHEMBL17712999 0.87 SLC6A3 (0.66) SLC6A3SLC6A4SLC6A2ATM
SCHEMBL29451691 0.85 HDAC4 (0.61) SLC6A3SLC6A4SLC6A2ATM
SCHEMBL2504396 0.85 HDAC4 (0.61) SLC6A3SLC6A4SLC6A2ATM
SCHEMBL1223719 0.85 HDAC4 (0.61) SLC6A3SLC6A4SLC6A2ATM
SCHEMBL1223722 0.85 HDAC4 (0.61) SLC6A3SLC6A4SLC6A2ATM
SCHEMBL819337 0.84 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2ATM
Hydrochloric Acid SCHEMBL9753140 0.82 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2ATM

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
WO-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO disclosed