SCHEMBL9828253

SCHEMBL9828253

COc1ccc(Cc2ccc(N)cc2)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.77
CYP19A1 P11511 4/20 0.73
ALDH1A1 P00352 4/20 0.63
GAA P10253 1/20 0.63
ATM Q13315 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HPGD P15428 1/20 0.55
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.53
DHFR P00374 1/20 0.53
HTT P42858 1/20 0.53
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
AOC3 Q16853 1/20 0.50
CTSD P07339 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49

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
SCHEMBL2095593 0.88 CA2 (1.00) CA2CYP19A1ALDH1A1GAAATM
4,4'-Methylenedianiline SCHEMBL11059440 0.87 ALDH1A1 (0.85) CA2CYP19A1ALDH1A1GAAATM
SCHEMBL8142830 0.87 ALDH1A1 (0.85) CA2CYP19A1ALDH1A1GAAATM
SCHEMBL31457288 0.87 ALDH1A1 (0.85) CA2CYP19A1ALDH1A1GAAATM
SCHEMBL8152726 0.86 CA2 (0.61) CA2CYP19A1ALDH1A1GAAATM
SCHEMBL19039711 0.85 GAA (0.65) CA2CYP19A1ALDH1A1GAACYP3A4
SCHEMBL6481605 0.85 CYP19A1 (1.00) CA2CYP19A1ATMKDM4ECYP3A4
SCHEMBL30898567 0.84 ALDH1A1 (0.58) CA2CYP19A1ALDH1A1GAAATM
SCHEMBL29067121 0.84 CA2 (0.69) CA2CYP19A1ALDH1A1GAAATM
SCHEMBL29449205 0.84 CA2 (0.91) CA2CYP19A1ALDH1A1GAAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221346-B1 (N-SUBSTITUTED-2-HYDROXY) BENZAMIDES AND N-SUBSTITUTED-2-HYDROXY-ALPHA-OXO-BENZENEACETAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF HAVING ACTIVITY AS MODULATORS OF THE ARACHIDONIC ACID CASCADE WARNER-LAMBERT COMPANY (US) 1991-01-30 EP disclosed
US-4939133-A N-substituted-2-hydroxy-α-oxo-benzeneacetamides and pharmaceutical compositions having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1990-07-03 US disclosed
US-4921871-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1990-05-01 US disclosed
US-4874758-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-10-17 US disclosed
US-4868200-A LEUKOTRIENES, LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868205-A ANTIALLERGENS, ANTIINFLAMMATORY, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868199-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4761424-A Enolamides, pharmaceutical compositions and methods for treating inflammation WARNER-LAMBERT COMPANY (US) 1988-08-02 US disclosed
EP-0221346-A1 (N-substituted-2-hydroxy) benzamides and N-substituted-2-hydroxy-alpha-oxo-benzeneacetamides and pharmaceutical compositions thereof having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed
EP-0221345-A1 Novel enolamides, process for their manufacture and pharmaceutical compositions thereof with an activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed