SCHEMBL8204822

SCHEMBL8204822

O=C(O)c1c(OCc2ccccc2)cccc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.69
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTGER1 P34995 2/20 0.55
SRD5A2 P31213 1/20 0.55
ALPG P10696 1/20 0.54
PTK2B Q14289 1/20 0.54
RXRA P19793 3/20 0.54
RXRB P28702 2/20 0.54
HPGD P15428 2/20 0.54
RXRG P48443 1/20 0.54
BRD4 O60885 1/20 0.54
MRGPRX4 Q96LA9 3/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
MITF O75030 1/20 0.54
TP53 P04637 1/20 0.54
XBP1 P17861 1/20 0.54

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
SCHEMBL1097870 0.90 FOLH1 (0.62) FOLH1MAPTMAPK1TDP1L3MBTL1
SCHEMBL19336446 0.90 FOLH1 (0.62) FOLH1MAPTMAPK1TDP1L3MBTL1
SCHEMBL2897224 0.88 MRGPRX4 (0.62) FOLH1MAPTMAPK1TDP1L3MBTL1
SCHEMBL27477949 0.88 RXRA (0.63) FOLH1MAPTMAPK1TDP1L3MBTL1
SCHEMBL10741653 0.88 FOLH1 (0.65) FOLH1MAPTMAPK1TDP1L3MBTL1
SCHEMBL28465916 0.88 FOLH1 (0.61) FOLH1MAPTMAPK1TDP1L3MBTL1
SCHEMBL4643769 0.86 FOLH1 (0.56) FOLH1MAPTMAPK1TDP1L3MBTL1
SCHEMBL5743109 0.85 FOLH1 (0.57) FOLH1MAPTMAPK1TDP1L3MBTL1
SCHEMBL4947232 0.85 MAOB (0.61) FOLH1MAPTMAPK1TDP1L3MBTL1
SCHEMBL11519443 0.85 FOLH1 (0.57) FOLH1MAPTMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106748604-B Method for synthesizing mono-iodo aromatic hydrocarbon or di-iodo aromatic hydrocarbon based on decarboxylation of aromatic carboxylic acid 湘潭大学 2020-06-05 CN claimed
CN-106748604-B Method for synthesizing mono-iodo aromatic hydrocarbon or di-iodo aromatic hydrocarbon based on decarboxylation of aromatic carboxylic acid 湘潭大学 2020-06-05 CN disclosed
US-6136969-A PROTEIN KINASE INHIBITORS; 4-HYDROXYBENZOIC ACID 3-(4-(4-FLUOROBENZOYLOXY)-BENZOYLAMINO)-AZEPAN-4-YL ESTER HOFFMANN-LA ROCHE INC. (US) 2000-10-24 US disclosed
US-5907038-A PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1999-05-25 US disclosed
EP-0836592-A1 AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1998-04-22 EP disclosed
WO-1997002249-A1 NOVEL AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1997-01-23 WO disclosed