SCHEMBL7688645

SCHEMBL7688645

CC(C)(C)C(=O)Oc1ccccc1CC(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.54
L3MBTL1 Q9Y468 1/20 0.40
CXCL8 P10145 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7683064 0.85 ELANE (0.56) ELANEL3MBTL1CXCL8NPSR1
SCHEMBL3150572 0.83 ELANE (0.57) ELANENPSR1LMNAMAPT
SCHEMBL15867625 0.83 ELANE (0.61) ELANEL3MBTL1NPSR1LMNAMAPT
SCHEMBL11419918 0.81 ELANE (0.59) ELANENPSR1LMNAMAPT
SCHEMBL7685111 0.81 PTGS2 (0.49) ELANEL3MBTL1CXCL8LMNAMAPT
SCHEMBL31112746 0.81 PTGS2 (0.49) ELANEL3MBTL1CXCL8LMNAMAPT
SCHEMBL6974420 0.81 ELANE (0.51) ELANENPSR1LMNAMAPT
SCHEMBL20512118 0.81 ELANE (0.54) ELANENPSR1LMNAMAPT
SCHEMBL16940033 0.80 ELANE (0.57) ELANENPSR1LMNAMAPT
SCHEMBL23393760 0.79 ELANE (0.56) ELANENPSR1

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-6380388-B1 ACTIVITY AGAINST RETROVIRUSES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS (HIV), HEPATITIS B VIRUS (HBV), AND HUMAN T-LYMPHOTROPIC VIRUS BRANTFORD CHEMICALS INC. (CA) 2002-04-30 US claimed
US-6380388-B1 ACTIVITY AGAINST RETROVIRUSES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS (HIV), HEPATITIS B VIRUS (HBV), AND HUMAN T-LYMPHOTROPIC VIRUS BRANTFORD CHEMICALS INC. (CA) 2002-04-30 US disclosed