SCHEMBL9417892

SCHEMBL9417892

CC(=O)c1cc(C=O)c(OCCCCC#N)cc1OCCCCC#N

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9417774 0.90 HTT (0.40) CYP3A4TSHR
SCHEMBL14641571 0.83 CYP3A4 (0.51) CYP3A4TSHRLMNAMAPTL3MBTL1
SCHEMBL10288012 0.81 CYP3A4 (0.43) CYP3A4TSHRLMNAMAPTL3MBTL1
SCHEMBL9417823 0.80 CYP3A4 (0.42) CYP3A4TSHRLMNAMAPTL3MBTL1
SCHEMBL9417827 0.80 HTT (0.45) CYP3A4TSHR
SCHEMBL9417947 0.79 CYP3A4 (0.41) CYP3A4TSHRLMNAMAPTL3MBTL1
SCHEMBL9417765 0.78 CYP3A4 (0.40) CYP3A4TSHRLMNASMN1; SMN2
SCHEMBL24311265 0.75 LMNA (0.37) LMNAMAPTL3MBTL1SMN1; SMN2
SCHEMBL24311348 0.75 LMNA (0.40) LMNAMAPTL3MBTL1SMN1; SMN2
SCHEMBL9417761 0.74 NR1H4 (0.42) LMNAMAPTL3MBTL1SMN1; SMN2

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
US-5294613-A Benzene derivatives of p-substituted ether and acid or ester ELI LILLY AND COMPANY (US) 1994-03-15 — — US disclosed
US-5098613-A Aromatic ethers for treatment of mammals ELI LILLY AND COMPANY (US) 1992-03-24 — — US disclosed
US-4945099-A LEUKOTRIENE ANTAGONIST ELI LILLY AND COMPANY (US) 1990-07-31 — — US disclosed
EP-0276065-B1 ANTI-INFLAMMATORY AGENTS ELI LILLY AND COMPANY (US) 1990-06-06 — — EP disclosed
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