SCHEMBL7038166

SCHEMBL7038166

COc1ccccc1Oc1cccc(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HTT P42858 2/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 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
SCHEMBL11409561 0.90 FFAR1 (0.45) ALDH1A1HTTMAPK1L3MBTL1FFAR1
SCHEMBL11816426 0.85 FFAR4 (0.49) ALDH1A1HTTMAPK1L3MBTL1KMT2A
SCHEMBL11819275 0.85 FFAR4 (0.49) ALDH1A1HTTMAPK1L3MBTL1KMT2A
SCHEMBL11817752 0.84 LTA4H (0.52) ALDH1A1HTTMAPK1L3MBTL1KMT2A
SCHEMBL11819761 0.83 FFAR4 (0.48) ALDH1A1HTTMAPK1L3MBTL1CYP1A2
SCHEMBL11826417 0.82 LTA4H (0.50) ALDH1A1HTTMAPK1L3MBTL1CYP1A2
SCHEMBL11821092 0.82 LTA4H (0.50) ALDH1A1HTTMAPK1L3MBTL1CYP1A2
SCHEMBL11825691 0.82 LTA4H (0.50) ALDH1A1HTTMAPK1L3MBTL1CYP1A2
SCHEMBL13791510 0.82 MAPK1 (0.65) ALDH1A1HTTMAPK1L3MBTL1CA12
SCHEMBL791852 0.82 HTT (0.86) ALDH1A1HTTMAPK1L3MBTL1CA12

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944636-B1 PHENYL GLYOXAMIDES AS sPLA2 INHIBITORS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0946495-B1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2002-07-24 EP disclosed
US-6353128-B1 FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK. ELI LILLY AND COMPANY 2002-03-05 US disclosed
EP-0944636-A4 PHENYL GLYOXAMIDES AS sPLA2 INHIBITORS LILLY CO ELI (US) 2000-07-12 EP disclosed
EP-0944636-A1 PHENYL GLYOXAMIDES AS sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1999-09-29 EP disclosed
US-5916922-A FOR INHIBITING HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2 ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
WO-1998024794-A1 PHENYL GLYOXAMIDES AS sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed