SCHEMBL7873604

SCHEMBL7873604

COc1ccc([Zr](Cl)(Cl)(c2ccc(OC)c3c2Cc2ccccc2-3)[SiH](C)C)c2c1-c1ccccc1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2C P28335 1/20 0.38
HIF1A Q16665 2/20 0.37
USP2 O75604 1/20 0.36
DUSP3 P51452 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL5351418 0.76 PNMT (0.42) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7873112 0.73 MAPT (0.48) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11422117 0.73 ALDH1A1 (0.51) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7196670 0.72 MAPT (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7876357 0.72 MAPT (0.42) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7869893 0.72 MAPT (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7196660 0.72 MAPT (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7945496 0.71 MAPT (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7717458 0.68 KDM4E (0.34) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7116325 0.67 PNMT (0.31) NPC1RAB9A

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
US-6313242-B1 PROVIDING A METALLOCENE CATALYST AND CONTACTING WITH AN ETHYLENICALLY UNSATURATED MONOMER WHICH CONTAINS THREE OR MORE CARBON ATOMS OR IS A SUBSTITUTED VINYL COMPOUND IN PRESENCE OF ORGANOALUMINUM COCATALYST TO PRODUCE ISOSPECIFIC POLYMER FINA TECHNOLOGY, INC. 2001-11-06 US disclosed
US-5945365-A Stereorigid bis-fluorenyl metallocenes FINA TECHNOLOGY, INC. (US) 1999-08-31 US disclosed