SCHEMBL6999600

SCHEMBL6999600

CCOC(=O)c1ccc(OCCC(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.67
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TP53 P04637 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
EPHX2 P34913 1/20 0.55
MAPT P10636 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ESR1 P03372 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
ESR2 Q92731 1/20 0.53
CA14 Q9ULX7 1/20 0.53
GAA P10253 1/20 0.52
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
TBXAS1 P24557 1/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL21157703 0.88 RARB (0.64) MAPK1TDP1L3MBTL1MAPTKCNH2
SCHEMBL6701399 0.87 TDP1 (0.74) TDP1L3MBTL1TP53MAPTCA12
SCHEMBL12694298 0.84 MAPT (0.74) MAPK1TDP1L3MBTL1SMN1; SMN2EPHX2
SCHEMBL948679 0.84 KMT2A (0.58) TDP1L3MBTL1TP53MAPTCA12
SCHEMBL9040400 0.84 TDP1 (0.56) MAPK1TDP1L3MBTL1MAPTCA12
SCHEMBL5166263 0.83 TDP1 (0.66) MAPK1TDP1L3MBTL1TP53SMN1; SMN2
SCHEMBL950916 0.83 L3MBTL1 (0.66) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL10804600 0.83 MAPK1 (0.69) MAPK1TDP1TP53SMN1; SMN2EPHX2
SCHEMBL10804595 0.83 MAPK1 (0.69) MAPK1TDP1TP53SMN1; SMN2EPHX2
SCHEMBL9488719 0.82 MAPK1 (0.60) MAPK1TDP1L3MBTL1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087977-B1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP disclosed
US-6214838-B1 WHICH ARE STABLE TO METABOLISM BY THE BODY AND EXHIBITS ANTI-INFLAMMATORY ACTIVITY, BONE RESORPTION INHIBITORY ACTIVITY AND ACTIVITY IN INHIBITING PRODUCTION OF IMMUNOCYTOKINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-10 US disclosed
EP-1087977-A1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-04-04 EP disclosed
WO-1999065916-A1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-23 WO disclosed