SCHEMBL7894644

SCHEMBL7894644

CC(C)(C)C1N=C(Cc2ccccc2)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.35
SORT1 Q99523 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CALM1 P0DP23 1/20 0.33
MEN1 O00255 1/20 0.33
ELANE P08246 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
CYP2D6 P10635 1/20 0.33
PLA2G6 O60733 2/20 0.32
PLA2G4A P47712 1/20 0.32
IDH1 O75874 1/20 0.32
CTRC Q99895 3/20 0.31
DAO P14920 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL4023013 0.79 MMP9 (0.37) MMP9SORT1CALM1MEN1ELANE
SCHEMBL11125426 0.74 CTRB1 (0.38) MMP9SORT1TSHRCALM1MEN1
SCHEMBL7895962 0.72 USP1 (0.38) HPGDMEN1KMT2ALMNAALDH1A1
SCHEMBL7894646 0.68 HPGD (0.38) SORT1HPGDTSHRCALM1MEN1
SCHEMBL8132266 0.61 CALM1 (0.55) SORT1CALM1MEN1ELANEKMT2A
SCHEMBL15282017 0.60 TAAR1 (0.40) MMP9CALM1MAPT
SCHEMBL304780 0.60 TP53 (0.44) SORT1CALM1ELANELMNACTRC
SCHEMBL305339 0.59 CALM1 (0.52) SORT1CALM1MEN1ELANEKMT2A
SCHEMBL22618564 0.59 CTRB1 (0.50) LMNAPLA2G6PLA2G4A
SCHEMBL10973500 0.59 CES2 (0.42) TSHR

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-6180374-B1 ENANTIOMORPHS; BIOTRANSFORMATION USING ENZYME IN PRESENCE OF AN ALCOHOL OF AN AZLACTONE CHIROTECH TECHNOLOGY, INC. (GB) 2001-01-30 US disclosed
EP-0726891-B1 A METHOD FOR PREPARING TERT-LEUCINE AND ANALOGUES THEREOF IN ENANTIOMERIC FORM, AND INTERMEDIATES THEREIN CHIROTECH TECHNOLOGY LTD (GB) 1999-02-03 EP disclosed