SCHEMBL8122012

SCHEMBL8122012

COCOc1cccc(F)c1C(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
MAPT P10636 8/20 0.44
RAB9A P51151 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MEN1 O00255 3/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL22394689 0.88 L3MBTL1 (0.42) MAPTRAB9AL3MBTL1LMNAJAK1
SCHEMBL8137394 0.88 RORC (0.49) EGFRMAPTRAB9AL3MBTL1LMNA
SCHEMBL3149772 0.87 CA12 (0.44) MAPTRAB9ALMNAKMT2APTPN1
SCHEMBL8480830 0.84 EGFR (0.45) EGFRMAPTRAB9AKMT2AALDH1A1
SCHEMBL8133830 0.83 EGFR (0.47) EGFRMAPTRAB9ALMNAKMT2A
SCHEMBL15999063 0.83 EGFR (0.50) EGFRMAPTRAB9AL3MBTL1LMNA
SCHEMBL4630496 0.81 EGFR (0.45) EGFRMAPTRAB9ALMNAKMT2A
SCHEMBL8128739 0.81 EGFR (0.46) EGFRMAPTRAB9ALMNAKMT2A
SCHEMBL8132649 0.80 EGFR (0.44) EGFRMAPTRAB9AL3MBTL1LMNA
SCHEMBL8479753 0.79 EGFR (0.44) EGFRMAPTRAB9AKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663393-B1 3-Amino/hydroxy-4- 4-benzoylphenylcarboxylamino/oxy -azepanes and their homologies as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2000-07-05 EP disclosed
US-5914406-A ENZYME INHIBITOR; USEFUL FOR TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMAN-LA ROCHE INC. (US) 1999-06-22 US disclosed
US-5750706-A TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMANN-LA ROCHE INC. (US) 1998-05-12 US disclosed
US-5583222-A ANTIINFLAMMATORY AGENTS FOR TREATMENT OF SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
EP-0663393-A1 Novel 3-amino/hydroxy-4- 4-benzoylphenylcarboxylamino/oxy -azepanes and their homologies as protein kinase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP disclosed