SCHEMBL7615091

SCHEMBL7615091

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MAOA P21397 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
ALOX5 P09917 1/20 0.32
CYP1A2 P05177 1/20 0.32
ACMSD Q8TDX5 2/20 0.32
HNF4A P41235 1/20 0.32
MGLL Q99685 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSP90AA1 P07900 2/20 0.31
HTT P42858 2/20 0.31
FAAH O00519 1/20 0.31
PKM P14618 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
EDNRB P24530 1/20 0.31

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
SCHEMBL3761123 0.76 HTR2A (0.38) MEN1KMT2ACYP3A4KDM4ELMNA
SCHEMBL8749938 0.76 HTR2A (0.38) MEN1KMT2ACYP3A4KDM4ELMNA
SCHEMBL8036415 0.74 MAOA (0.36) CA12CA9MAOAESR2KDM1A
SCHEMBL7632627 0.73 CA12 (0.36) CA12CA9MAOAESR2KDM1A
SCHEMBL8040768 0.73 HTT (0.34) CA12CA9MAOAESR2KDM1A
Hydrochloric Acid SCHEMBL7632622 0.72 MAOA (0.35) CA12CA9MAOAESR2KDM1A
Hydrochloric Acid SCHEMBL7615083 0.72 MAOA (0.35) CA12CA9MAOAESR2KDM1A
Hydrochloric Acid SCHEMBL8040766 0.72 MAOA (0.35) CA12CA9MAOAKDM1AKDM1B
Bromide SCHEMBL8024880 0.72 MAOA (0.35) CA12CA9MAOAKDM1AKDM1B
SCHEMBL8024885 0.70 CA12 (0.36) CA12CA9MAOAKDM1AKDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020161142-A1 Alpha-olefin-aromatic vinyl copolymer IDEMITSU KOSAN CO. LTD. (JP) 2002-10-31 US disclosed