SCHEMBL6857281

SCHEMBL6857281

C[SiH](C)[Ti](C)(C)NC(=O)C1(C2c3ccccc3-c3ccccc32)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC4 P56524 3/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 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
SCHEMBL25250940 0.63 SLC6A4 (0.51) TSHRKMT2AALDH1A1SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7216864 0.63 OPRK1 (0.32) KMT2ASLC6A4SLC6A3PSEN1PSEN2
Hydrochloric Acid SCHEMBL4842777 0.63 OPRK1 (0.32) TSHRKMT2ASLC6A4SLC6A3PSEN1
SCHEMBL29054946 0.59 AKR1C1 (0.42) KMT2AMAPTALDH1A1HDAC4POLB
SCHEMBL25182941 0.56 KDM4E (0.36) TSHRKMT2AMAPTALDH1A1HDAC4
SCHEMBL6332299 0.55 POLB (0.39) TSHRMAPTALDH1A1SLC6A4SLC6A3
SCHEMBL6469961 0.55 CHRM3 (0.34) MAPTALDH1A1SLC6A4SLC6A3BCHE
SCHEMBL38651516 0.55 BCHE (0.41) SLC6A4SLC6A3BCHEACHE
SCHEMBL8168093 0.53 SLC6A4 (0.34) SLC6A4SLC6A3
SCHEMBL5593897 0.53 POLB (0.52) TSHRKMT2AHDAC4HDAC3HDAC7

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-6787617-B1 FORMING NARROW MOLECULAR WEIGHT HOMOPOLYMERS AS INTERMEDIATES TO BLOCK OR TERMINAL FUNCTIONALIZED POLYMERS; HAFNIUM OR ZIRCONIUM CYCLOPENTADIENYL FUNCTIONALIZED CATALYSTS WITH TRIPHENYLBORON AND TRIALKYLALUMINUM COMPOUNDS JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2004-09-07 US disclosed
EP-1209171-A1 PROCESS FOR PRODUCING OLEFIN LIVING POLYMER JAPAN as Represented by DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-05-29 EP disclosed