SCHEMBL8816163

SCHEMBL8816163

Cc1c(F)cccc1C(=O)CC(=O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PTPN1 P18031 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACKR3 P25106 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL8813402 0.82 F2R (0.36) TAS1R3TAS1R1TAS1R2ERCC5FEN1
SCHEMBL15587991 0.79 ESR1 (0.46) ESR1ESR2TAS1R3TAS1R1TAS1R2
SCHEMBL8754605 0.78 ERCC5 (0.57) ERCC5FEN1MEN1KMT2ASMN1; SMN2
SCHEMBL8443704 0.73 ERCC5 (0.61) TAS1R3TAS1R1TAS1R2SLC6A2SLC6A4
SCHEMBL25433576 0.73 L3MBTL1 (0.41) TAS1R3TAS1R1TAS1R2HCRTR1HCRTR2
SCHEMBL8178949 0.73 L3MBTL1 (0.44) MEN1KMT2AACKR3SMN1; SMN2NPC1
SCHEMBL8813179 0.73 SLC6A4 (0.45) TAS1R3TAS1R1TAS1R2SLC6A2SLC6A4
SCHEMBL8491446 0.73 KDM2B (0.46) PTPN1ERCC5FEN1SMN1; SMN2HCRTR1
SCHEMBL13263817 0.72 ESR1 (0.46) ESR1ESR2SMN1; SMN2CES2BCHE
SCHEMBL3172457 0.72 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997023491-A1 NEW HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-03 WO disclosed