SCHEMBL8388404

SCHEMBL8388404

CSc1c(C(=O)O)ccc(Br)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
GPR17 Q13304 1/20 0.33
ERN1 O75460 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MYC P01106 1/20 0.32
AKR1C4 P17516 2/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 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
SCHEMBL17395316 0.86 KDM4E (0.37) LCKFYNMCL1ALDH1A1CYP1A2
SCHEMBL8391702 0.83 LCK (0.40) LCKFYNMCL1ALDH1A1CYP1A2
SCHEMBL8492758 0.81 LCK (0.39) LCKFYNMCL1ALDH1A1CYP1A2
SCHEMBL8494948 0.81 CES2 (0.45) MCL1ALDH1A1CYP1A2TSHRKDM4E
SCHEMBL8308572 0.80 MCL1 (0.41) LCKFYNMCL1ALDH1A1MAPT
SCHEMBL8389398 0.79 SORT1 (0.42) MCL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL8495888 0.79 LCK (0.37) LCKFYNMCL1ALDH1A1CYP1A2
SCHEMBL28743557 0.78 CYP1A2 (0.50) MCL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL3540940 0.77 CYP1A2 (0.44) LCKFYNALDH1A1CYP1A2TSHR
SCHEMBL17395308 0.76 GPR35 (0.40) LCKFYNMCL1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5856274-A 4-benzoyl isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-05 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
EP-0560482-B1 4-Benzoyl isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-08-06 EP disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0682659-B1 4-Benzoyl isoxazole derivatives, their preparation and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-04-16 EP disclosed
US-5334753-A Lithiating halobenzoic acid, then reacting with electrophilic reagent RHONE-POULENC AGRICULTURE LTD (GB) 1994-08-02 US disclosed
EP-0560482-A1 4-Benzoyl isoxazoles derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-09-15 EP disclosed