SCHEMBL9432259

SCHEMBL9432259

COC(=O)C1CC(C)Oc2cc(Cl)c(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.40
SLC6A3 Q01959 8/20 0.40
AKR1B1 P15121 1/20 0.39

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
SCHEMBL5162275 0.84 AKR1B1 (0.44) AKR1B1
SCHEMBL9432299 0.78 SLC6A3 (0.41) SLC6A4SLC6A3AKR1B1
SCHEMBL28108302 0.70 PTGS1 (0.37) SLC6A4SLC6A3
SCHEMBL25625143 0.70 KMT2A (0.37)
SCHEMBL1569835 0.67 PTGDR2 (0.42)
SCHEMBL28108305 0.65 PTGS1 (0.37) SLC6A4SLC6A3AKR1B1
SCHEMBL913653 0.65 KDM4E (0.35) SLC6A4SLC6A3
SCHEMBL17571869 0.64 SLC6A4 (0.36) SLC6A4SLC6A3
SCHEMBL3096933 0.64 SLC6A4 (0.39) SLC6A4SLC6A3
SCHEMBL10898016 0.64 HCRTR2 (0.48)

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-5294635-A Heterocyclic compounds as aldose reductase inhibitors PFIZER, INC. (US) 1994-03-15 US disclosed
US-5039672-A Administering enzyme inhibitors to control diabetes PFIZER INC. (US) 1991-08-13 US disclosed