SCHEMBL9356331

SCHEMBL9356331

COC(=O)C(C)(Br)CC(Br)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KCNN4 O15554 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
DGAT1 O75907 1/20 0.32
SRC P12931 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31

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
SCHEMBL1246632 0.81 LCK (0.47) ALDH1A1TSHRKCNN4LCKPPARD
SCHEMBL3502125 0.77
SCHEMBL28292106 0.74 DGAT1 (0.39) ALDH1A1TSHRKCNN4DGAT1SRC
SCHEMBL6897321 0.72 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL11022237 0.72 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL1691839 0.72 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL25325252 0.71 HMGCR (0.42) ALDH1A1TSHRKCNN4DGAT1SRC
SCHEMBL1854077 0.70
SCHEMBL6755569 0.70 DGAT1 (0.39) ALDH1A1TSHRKCNN4DGAT1SRC
SCHEMBL8370081 0.69 ALDH1A1 (0.50) ALDH1A1TSHRLCKPPARDZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299513-B1 Azetidine derivatives, compositions and their use FIDIA GEORGETOWN INST (US) 1994-10-05 EP disclosed
US-4990504-A Modulate excitatory amino acid receptor system FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1991-02-05 US disclosed
US-4946839-A ALZHEIMER'S DISEASE FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1990-08-07 US disclosed
EP-0299513-A1 Azetidine derivatives, compositions and their use FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1989-01-18 EP disclosed