SCHEMBL9430801

SCHEMBL9430801

CCOC(=O)CCCCn1c(C(C)C)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
FAAH O00519 2/20 0.52
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
TNF P01375 1/20 0.48
GPR55 Q9Y2T6 1/20 0.47
HTT P42858 1/20 0.47
CTNNB1 P35222 1/20 0.47

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
SCHEMBL22965212 0.85 PTGDR2 (0.59) PTGDR2FAAHKDM4EHSD17B10LMNA
SCHEMBL16421862 0.82 GAA (0.59) PTGDR2FAAHKDM4EHSD17B10LMNA
SCHEMBL3003332 0.81 PTGDR2 (0.55) PTGDR2SMN1; SMN2FAAHKDM4EHSD17B10
SCHEMBL7745965 0.81 SMN1; SMN2 (0.58) PTGDR2SMN1; SMN2FAAHKDM4EHSD17B10
SCHEMBL7741979 0.81 FAAH (0.56) PTGDR2SMN1; SMN2FAAHKDM4EHSD17B10
SCHEMBL8268109 0.80 PTGDR2 (0.53) PTGDR2SMN1; SMN2FAAHKDM4EHSD17B10
SCHEMBL8268110 0.79 FAAH (0.54) PTGDR2SMN1; SMN2FAAHKDM4EHSD17B10
SCHEMBL22965154 0.79 KDM4E (0.62) PTGDR2FAAHKDM4EHSD17B10TNF
SCHEMBL18250317 0.79 SMN1; SMN2 (0.70) SMN1; SMN2LMNAGPR55HTT
SCHEMBL4175599 0.78 KDM4E (0.66) PTGDR2SMN1; SMN2KDM4EHSD17B10LMNA

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-5364875-A Anticholesterol agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-11-15 US disclosed
WO-1993023392-A1 IMIDAZOLES LINKED TO BICYCLIC HETEROCYCLIC GROUPS FOR THE TREATMENT OF ATHEROSCLEROSIS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-11-25 WO disclosed