SCHEMBL8488994

SCHEMBL8488994

COc1ccc(COC(=O)c2noc(C3CC3)c2C(=O)c2ccc(SC)cc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H4 Q96RI1 3/20 0.37
DHODH Q02127 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.35
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8492757 0.91 FTO (0.39) MAPTRAB9AKDM4ENPC1HTT
SCHEMBL8491981 0.88 RAB9A (0.44) MAPTRAB9AKDM4ENPC1HTT
SCHEMBL8491115 0.86 USP28 (0.39) RAB9AHTTSMN1; SMN2NR1H4DHODH
SCHEMBL8488359 0.86 ALDH1A1 (0.37) MAPTKDM4EHTTNPSR1ALDH1A1
SCHEMBL8496033 0.83 KDM4E (0.35) KDM4ENR1H4ALDH1A1PKMPPARG
SCHEMBL8488228 0.83 KDM4E (0.35) RAB9AKDM4EHTTSMN1; SMN2NR1H4
SCHEMBL8493394 0.83 NR1H4 (0.36) RAB9AKDM4EHTTSMN1; SMN2NR1H4
SCHEMBL8492065 0.81 THRB (0.40) MAPTKDM4EALDH1A1GAAPKM
SCHEMBL8491813 0.81 HPGD (0.37) RAB9ASMN1; SMN2NR1H4NPSR1ALDH1A1
SCHEMBL8492238 0.81 HPGD (0.33) KDM4ESMN1; SMN2NR1H4NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US claimed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed