SCHEMBL7683064

SCHEMBL7683064

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.56
CXCL8 P10145 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
AKR1B1 P15121 1/20 0.47
CHRM1 P11229 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7688645 0.85 ELANE (0.54) ELANECXCL8L3MBTL1NPSR1
SCHEMBL15867625 0.84 ELANE (0.61) ELANEL3MBTL1NPSR1
SCHEMBL11419918 0.83 ELANE (0.59) ELANENPSR1
SCHEMBL3150572 0.81 ELANE (0.57) ELANENPSR1
SCHEMBL16940033 0.81 ELANE (0.57) ELANENPSR1
SCHEMBL2381169 0.81 CXCL8 (0.56) ELANECXCL8L3MBTL1AKR1B1CHRM1
SCHEMBL3289983 0.80 CXCL8 (0.59) CXCL8L3MBTL1AKR1B1CHRM1TDP1
SCHEMBL23393760 0.80 ELANE (0.56) ELANENPSR1
SCHEMBL29607284 0.80 ELANE (0.74) ELANENPSR1
SCHEMBL8080533 0.79 CXCL8 (0.58) CXCL8L3MBTL1AKR1B1CHRM1TDP1

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 3 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
CN-109553610-B Preparation method of emtricitabine isomer 江西富祥药业股份有限公司 2020-10-27 CN disclosed
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