SCHEMBL11221996

SCHEMBL11221996

CCCCC(=O)c1ccc(OC)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
RAB9A P51151 1/20 0.59
THRA P10827 2/20 0.57
THRB P10828 2/20 0.57
HTR7 P34969 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
PDE4D Q08499 5/20 0.55
PDE4A P27815 4/20 0.55
PDE4B Q07343 4/20 0.55
PDE4C Q08493 4/20 0.55
HRH3 Q9Y5N1 2/20 0.55
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B3 P37058 1/20 0.50
CTNNB1 P35222 1/20 0.50

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
SCHEMBL2420242 0.95 THRA (0.60) HTTLMNAMAPK1RAB9ATHRA
SCHEMBL5729116 0.91 RAB9A (0.63) HTTLMNAMAPK1RAB9ATHRA
SCHEMBL29670763 0.86 CTNNB1 (0.67) THRATHRBPDE4DPDE4APDE4B
SCHEMBL4861157 0.86 CTNNB1 (0.67) THRATHRBPDE4DPDE4APDE4B
SCHEMBL7389336 0.85 HTT (0.56) HTTLMNAMAPK1RAB9ATHRA
SCHEMBL6580881 0.84 HTT (0.63) HTTLMNAMAPK1RAB9ATHRA
SCHEMBL8984320 0.84 THRA (0.60) THRATHRBHRH3
SCHEMBL8035601 0.84 HTT (0.55) HTTLMNAMAPK1RAB9ATHRA
SCHEMBL2845183 0.84 HTT (0.67) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL10454879 0.84 MGLL (0.57) HTTLMNAMAPK1RAB9ATHRA

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
US-4366330-A A FLUOROPHENOL CAPABLE OF BEING REACTED WITH AN ARYL OR CYCLOALKYL CARBOXYLIC ACID TO PRODUCT AN ESTER BCH CHEMICALS LIMITED (GB) 1982-12-28 US disclosed