SCHEMBL7783128

SCHEMBL7783128

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Si](C)(C)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21.C[Si](C)(C1C(c2cccc3ccccc23)=Cc2ccccc21)C1C(c2cccc3ccccc23)=Cc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3149399 0.89 ENPP3 (0.38) ENPP3ENPP1MAPTSMN1; SMN2KDM4E
SCHEMBL7036428 0.88 MAPT (0.38) ENPP3ENPP1MAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5167145 0.86 ENPP3 (0.36) ENPP3ENPP1MAPTSMN1; SMN2KDM4E
SCHEMBL1452672 0.82 ENPP3 (0.33) ENPP3ENPP1MAPTSMN1; SMN2KDM4E
SCHEMBL4466994 0.81 ENPP3 (0.36) ENPP3ENPP1MAPTSMN1; SMN2KDM4E
SCHEMBL7054875 0.81 ENPP3 (0.38) ENPP3ENPP1MAPTSMN1; SMN2KDM4E
SCHEMBL6056238 0.81 MAOA (0.31) ENPP3ENPP1TDP1ALOX15MAOA
SCHEMBL7783130 0.79 ENPP3 (0.32) ENPP3ENPP1MAPTSMN1; SMN2ALOX15
SCHEMBL7053238 0.79 ENPP3 (0.36) ENPP3ENPP1MAPTSMN1; SMN2KDM4E
SCHEMBL3144749 0.78 ALDH1A1 (0.37) ENPP3ENPP1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133504-A1 METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES Basell Polypropylen GmbH (DE) 2001-09-19 EP disclosed
WO-2000031091-A1 METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES BASELL POLYPROPYLEN GMBH (DE) 2000-06-02 WO disclosed