SCHEMBL31207412

SCHEMBL31207412

CC(=O)OCc1cc(F)c(Br)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
NOTUM Q6P988 2/20 0.35
SCN9A Q15858 5/20 0.34
CA2 P00918 1/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1315783 0.82 NOTUM (0.40) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL28788679 0.79 HSD17B10 (0.39) SMN1; SMN2ALDH1A1CYP3A4CA2HSD17B10
SCHEMBL14850042 0.79 PKM (0.41) L3MBTL1POLBGAAHTTSMN1; SMN2
SCHEMBL28341702 0.78 NOTUM (0.43) L3MBTL1POLBGAAHTTSMN1; SMN2
SCHEMBL16387297 0.76 KDM1A (0.38) KDM1AKDM1B
SCHEMBL15785464 0.76 KDM1A (0.44) KDM1AKDM1BALDH1A1SCN9A
SCHEMBL14810800 0.75 SMN1; SMN2 (0.42) KDM1AKDM1BGAAHTTSMN1; SMN2
SCHEMBL15599160 0.75 SCN9A (0.39) KDM1AKDM1BSCN9A
SCHEMBL30883525 0.75 SMN1; SMN2 (0.42) KDM1AKDM1BGAAHTTSMN1; SMN2
SCHEMBL16880501 0.75 L3MBTL1 (0.39) L3MBTL1POLBKDM1AKDM1BCYP3A4

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
EP-4702021-A1 COMPOUNDS CAPABLE OF MODULATING GPR65 Pathios Therapeutics Limited (GB) 2026-03-04 EP disclosed
WO-2024224064-A1 COMPOUNDS CAPABLE OF MODULATING GPR65 Pathios Therapeutics Limited (GB) 2024-10-31 WO disclosed