SCHEMBL8024972

SCHEMBL8024972

CON=COc1ccccc1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ AKR1B1 P15121 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTGER1 P34995 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ CAMK2A Q9UQM7 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ MMP16 P51512 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
SCHEMBL3036255 0.77 CXCL8 (0.56) CXCL8L3MBTL1AKR1B1CHRM1PTGER1
SCHEMBL29431297 0.77 HSD17B10 (0.61) CXCL8L3MBTL1AKR1B1MEN1POLB
SCHEMBL155982 0.77 HSD17B10 (0.61) CXCL8L3MBTL1AKR1B1MEN1POLB
SCHEMBL12986104 0.76 CXCL8 (0.54) CXCL8L3MBTL1AKR1B1CHRM1PTGER1
Hydrochloric Acid SCHEMBL2527513 0.75 HSD17B10 (0.59) CXCL8L3MBTL1AKR1B1MEN1POLB
SCHEMBL28215186 0.75 HSD17B10 (0.59) CXCL8L3MBTL1AKR1B1MEN1POLB
SCHEMBL8416291 0.75 AKR1B1 (0.46) CXCL8L3MBTL1AKR1B1MEN1KMT2A
SCHEMBL9016420 0.75 AKR1B1 (0.46) CXCL8L3MBTL1AKR1B1MEN1KMT2A
SCHEMBL8343067 0.75 AKR1B1 (0.46) CXCL8L3MBTL1AKR1B1MEN1KMT2A
SCHEMBL10973471 0.74 CXCL8 (0.49) CXCL8L3MBTL1AKR1B1CHRM1CAMK2A

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
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 — — EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 — — US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 — — EP disclosed
Send feedback