SCHEMBL7382020

SCHEMBL7382020

CCOC(=O)CCc1cc(OC)ccc1CCc1cc2cc(C#N)ccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP1 P29466 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7388021 0.89 KDM4E (0.39) CLK1ALDH1A1GAAHPGDKDM4E
SCHEMBL7392676 0.86 STING1 (0.37) ALDH1A1HPGDKDM4ECYP4F2CYP4A11
SCHEMBL7390840 0.83 KDM4E (0.35) ALDH1A1GAAHPGDKDM4ECASP1
SCHEMBL7390604 0.79 GPR119 (0.46) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8925568 0.79 CYP4F2 (0.38) CLK1ALDH1A1MAPTGAAHPGD
SCHEMBL7390836 0.75 THRB (0.40) CLK1ALDH1A1MAPTGAAHPGD
SCHEMBL3903179 0.74 CYP4F2 (0.52) ALDH1A1MAPTGAAHPGDNPC1
SCHEMBL3900541 0.71 F9 (0.39) CLK1ALDH1A1MAPTGAAHPGD
SCHEMBL11116312 0.69 CYP4F2 (0.47) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL3913357 0.69 KDM4E (0.47) CLK1ALDH1A1GAAHPGDKDM4E

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
US-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP disclosed