SCHEMBL8040768

SCHEMBL8040768

Cl[Ti](Cl)(Cl)C1C=Cc2cc(-c3ccccc3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.34
ATM Q13315 2/20 0.34
MGLL Q99685 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSP90AA1 P07900 2/20 0.34
FAAH O00519 1/20 0.34
PKM P14618 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MAOA P21397 1/20 0.33
ESR2 Q92731 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM1A O60341 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
KDM1B Q8NB78 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
APAF1 O14727 1/20 0.33

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
SCHEMBL8024885 0.83 CA12 (0.36) HTTATMMGLLALDH1A1HSP90AA1
SCHEMBL8678223 0.77 MAPT (0.38) HTTATMMGLLALDH1A1HSP90AA1
SCHEMBL8036415 0.74 MAOA (0.36) HTTATMMGLLALDH1A1HSP90AA1
SCHEMBL7615091 0.73 CA12 (0.33) HTTATMMGLLALDH1A1HSP90AA1
SCHEMBL7632627 0.73 CA12 (0.36) HTTATMMGLLALDH1A1HSP90AA1
Hydrochloric Acid SCHEMBL8040766 0.72 MAOA (0.35) HTTATMMGLLALDH1A1HSP90AA1
Hydrochloric Acid SCHEMBL7615083 0.72 MAOA (0.35) HTTATMMGLLALDH1A1HSP90AA1
Bromide SCHEMBL8024880 0.72 MAOA (0.35) HTTATMMGLLALDH1A1HSP90AA1
Hydrochloric Acid SCHEMBL7632622 0.72 MAOA (0.35) HTTATMMGLLALDH1A1HSP90AA1
Hydrochloric Acid SCHEMBL6554748 0.67 CA12 (0.31) HTTALDH1A1HSP90AA1CA12CA9

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
EP-0796875-B1 Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM SPA (IT) 2000-03-29 EP disclosed
US-5721327-A Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM S.P.A. (IT) 1998-02-24 US disclosed
EP-0796875-A2 Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM S.p.A. (IT) 1997-09-24 EP disclosed