SCHEMBL5323637

SCHEMBL5323637

CC(C)=CCC/C(C)=C\C=NO

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.54
CYP3A4 P08684 2/20 0.54
ALOX15 P16050 2/20 0.54
NR1I2 O75469 1/20 0.53
LMNA P02545 1/20 0.53
PGR P06401 1/20 0.53
MAPT P10636 2/20 0.52
UGT1A1 P22309 1/20 0.52
SQLE Q14534 6/20 0.50
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL15257167 1.00 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL5323634 1.00 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL3274058 1.00 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL15255046 1.00 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL13870979 0.96 KMT2A (0.67) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL3275116 0.96 KMT2A (0.67) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL30096335 0.85 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL15257168 0.82 KDM4E (0.44) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL28575170 0.80 NR1I2 (0.76) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL25396940 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AKDM4EMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2825661-B1 PROCESS FOR PREPARING TERPENE NITRILES FROM TERPENE OXIMES EMPLOYING AN ALDOXIME DEHYDRATASE BASF SE (DE) 2016-05-18 EP claimed
US-9080191-B2 Method for biocatalytic production of nitriles from oximes and oxime dehydratases usable therein BASF SE (DE) 2015-07-14 US claimed
US-20130244298-A1 METHOD FOR BIOCATALYTIC PRODUCTION OF NITRILES FROM OXIMES AND OXIME DEHYDRATASES USABLE THEREIN BASF SE (DE) 2013-09-19 US claimed
US-9080191-B2 Method for biocatalytic production of nitriles from oximes and oxime dehydratases usable therein BASF SE (DE) 2015-07-14 US disclosed
US-9080191-B2 Method for biocatalytic production of nitriles from oximes and oxime dehydratases usable therein BASF SE (DE) 2015-07-14 US disclosed
CN-104364387-A Method for producing terpene nitriles from terpene oximes using an aldoxime dehydratase BASF SE 2015-02-18 CN disclosed
EP-2825661-A1 METHOD FOR PRODUCING TERPENE NITRILES FROM TERPENE OXIMES USING AN ALDOXIME DEHYDRATASE BASF SE (DE) 2015-01-21 EP disclosed
US-20130244298-A1 METHOD FOR BIOCATALYTIC PRODUCTION OF NITRILES FROM OXIMES AND OXIME DEHYDRATASES USABLE THEREIN BASF SE (DE) 2013-09-19 US disclosed
US-20130244298-A1 METHOD FOR BIOCATALYTIC PRODUCTION OF NITRILES FROM OXIMES AND OXIME DEHYDRATASES USABLE THEREIN BASF SE (DE) 2013-09-19 US disclosed
WO-2013135601-A1 METHOD FOR PRODUCING TERPENE NITRILES FROM TERPENE OXIMES USING AN ALDOXIME DEHYDRATASE BASF SE (DE) 2013-09-19 WO disclosed
WO-2005102252-A9 SKIN AND/OR HAIR PRODUCTS, CONTAINING COMPOUNDS WITH AN ISOPRENOID STRUCTURE BEIERSDORF AG (DE) 2007-01-11 WO disclosed