SCHEMBL9486386

SCHEMBL9486386

CCCCCC1CCC(CCc2ccc(C3(C(=O)O)CCC(C4CCC(CCC)CC4)CC3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
S1PR4 O95977 2/20 0.33
S1PR5 Q9H228 2/20 0.33
LTB4R Q15722 2/20 0.33
LTB4R2 Q9NPC1 2/20 0.33
CNR2 P34972 1/20 0.33
PPARA Q07869 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL9488384 1.00 MEN1 (0.42) MEN1KMT2AITGB3ITGA2BTSHR
SCHEMBL9486946 0.98 MEN1 (0.42) MEN1KMT2AITGB3ITGA2BTSHR
SCHEMBL9487875 0.98 MEN1 (0.42) MEN1KMT2AITGB3ITGA2BTSHR
SCHEMBL9485865 0.97 KMT2A (0.43) MEN1KMT2AITGB3ITGA2BTSHR
SCHEMBL9487772 0.94 KMT2A (0.43) MEN1KMT2AITGB3ITGA2BTSHR
SCHEMBL9486977 0.94 KMT2A (0.40) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL2827604 0.93 MEN1 (0.43) MEN1KMT2AITGB3ITGA2BTSHR
SCHEMBL2829785 0.86 MEN1 (0.47) MEN1KMT2AITGB3ITGA2BTSHR
SCHEMBL4827223 0.86 MEN1 (0.47) MEN1KMT2AITGB3ITGA2BTSHR
SCHEMBL7511859 0.85 MEN1 (0.44) MEN1KMT2ATSHRMAPTOPRL1

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
US-5190692-A FOUR RING ESTERS AND ETHERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-02 US disclosed