SCHEMBL8610758

SCHEMBL8610758

CC(=O)OC(CO)[C@@H]1CC=CCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
PRSS1 P07477 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
CMA1 P23946 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8610763 1.00 TSHR (0.32) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL25543 0.84 TSHR (0.34) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL8444186 0.80 TSHR (0.37) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL8611814 0.77 PRSS1 (0.31) PRSS1CTSGCTRB1CMA1
SCHEMBL23725 0.73 TSHR (0.31) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL7225298 0.72 PRSS1 (0.33) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL11566611 0.71 PRSS1 (0.31) PRSS1CTSGCTRB1CMA1KDM4E
SCHEMBL7225302 0.70 PRSS1 (0.32) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL14582347 0.70 ALDH1A1 (0.31) KDM4EALDH1A1TDP1
SCHEMBL7231832 0.69 PRSS1 (0.34) TSHRPRSS1CTSGCTRB1CMA1

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-5783602-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0741686-B1 NEW LEUKOTRIENE B4 DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AG (DE) 1998-04-22 EP disclosed