SCHEMBL8718449

SCHEMBL8718449

CCOC(=O)COc1ccc(NC(=O)c2occ3cc(C(N)=S)ccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 6/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 4/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
EPHX2 P34913 1/20 0.40
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8904054 0.91 TPSAB1 (0.49) KDM4EMAPK1MAPTCXCR1CXCR2
SCHEMBL8716421 0.88 PSEN1 (0.39) KDM4EMAPK1MAPTTP53NPC1
SCHEMBL8718269 0.84 KMT2A (0.44) MAPK1MAPTPOLBTP53EPHX2
SCHEMBL8718442 0.81 TPSAB1 (0.54) KDM4EMAPK1MAPTPOLBTP53
SCHEMBL8904005 0.79 EPHX2 (0.38) KDM4EMAPK1MAPTLMNAPOLB
SCHEMBL8904785 0.79 PLAU (0.44)
SCHEMBL8903828 0.78 MEN1 (0.48) ALDH1A1
SCHEMBL8770627 0.75 EPHX2 (0.51) KDM4EMAPTCXCR1CXCR2LMNA
SCHEMBL22192691 0.75 NPC1 (0.65) KDM4EMAPTCXCR1CXCR2LMNA
SCHEMBL8905612 0.74 PSEN1 (0.39) MAPTPOLBTP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed