SCHEMBL7894646

SCHEMBL7894646

CC(C)(C)[C]1N=C(Cc2ccccc2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
SORT1 Q99523 1/20 0.36
CALM1 P0DP23 1/20 0.35
LMNA P02545 2/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.34
ELANE P08246 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTRC Q99895 3/20 0.33
DAO P14920 1/20 0.33
SLC6A2 P23975 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL8999829 0.80 MEN1 (0.40) HPGDCYP2D6MEN1KMT2AALDH1A1
SCHEMBL4001548 0.70 MMP9 (0.36) SORT1CALM1MEN1ELANEKMT2A
SCHEMBL4003199 0.70 MMP9 (0.36) SORT1CALM1MEN1ELANEKMT2A
SCHEMBL6177655 0.70 LTA4H (0.35) SORT1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6177652 0.70 LTA4H (0.35) SORT1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4005269 0.70 SMN1; SMN2 (0.57) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL4005275 0.70 SMN1; SMN2 (0.57) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL6180626 0.69 USP2 (0.34) SORT1CALM1MEN1ELANEKMT2A
SCHEMBL3999962 0.69 MMP9 (0.35) SORT1CALM1MEN1ELANEKMT2A
SCHEMBL6178028 0.68 ALDH1A1 (0.39) HPGDMEN1KMT2AKDM4EALDH1A1

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