SCHEMBL4079928

SCHEMBL4079928

COc1ccc2c(C=O)[c]ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
ERN1 O75460 1/20 0.40
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
HSP90AA1 P07900 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HNF4A P41235 1/20 0.37
GSTP1 P09211 1/20 0.37

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
SCHEMBL21830459 0.76 CYP1A2 (0.44) ALDH1A1KDM4EMAPTCYP2A6CYP1A2
SCHEMBL9939494 0.75 CYP1A2 (0.42) ALDH1A1KDM4EMAPTCYP2A6CYP1A2
SCHEMBL6891247 0.75 CYP1A2 (0.42) ALDH1A1KDM4EMAPTCYP2A6CYP1A2
SCHEMBL9365805 0.75 CYP1A2 (0.42) ALDH1A1KDM4EMAPTCYP2A6CYP1A2
SCHEMBL5749446 0.73 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTERN1CYP2A6
SCHEMBL9939717 0.71 NQO1 (0.44) ALDH1A1KDM4EMAPTCYP2A6CYP1A2
SCHEMBL6180539 0.71 SLC2A1 (0.41) KDM4ECYP2A6CYP1A2HSP90AA1
SCHEMBL27902298 0.70 CYP2A6 (0.65) ALDH1A1KDM4EMAPTCYP2A6CYP1A2
SCHEMBL5383981 0.70 SIRT2 (0.57) ALDH1A1KDM4EMAPTERN1TRIM24
SCHEMBL29889957 0.70 SIRT2 (0.57) ALDH1A1KDM4EMAPTERN1TRIM24

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
WO-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 WO disclosed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP disclosed