SCHEMBL9810014

SCHEMBL9810014

OCC1=Cc2ccc(F)cc2OC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
MCHR1 Q99705 1/20 0.41
ALOX5 P09917 7/20 0.38
ALOX12 P18054 1/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 2/20 0.33
MET P08581 1/20 0.33
KIT P10721 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
MTNR1A P48039 1/20 0.32
THRB P10828 1/20 0.32
NOTUM Q6P988 1/20 0.31
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL9810032 0.83 HTR2C (0.39) HTR2CMCHR1ALOX5ALOX12PTGS1
SCHEMBL30081443 0.77 CA12 (0.44) ALOX5MAPTSRC
SCHEMBL9731627 0.77 ALOX5 (0.46) ALOX5PTGS1PTGS2MAPT
SCHEMBL30529006 0.77 ALOX5 (0.46) ALOX5PTGS1PTGS2MAPT
SCHEMBL31191924 0.73 ALOX5 (0.45) HTR2CMCHR1ALOX5PTGS1PTGS2
SCHEMBL14181716 0.70 CA1 (0.33) HTR2CMCHR1
SCHEMBL34471543 0.70 HTR2C (0.31) HTR2CMCHR1ALOX5PTGS1PTGS2
SCHEMBL9810083 0.70 PTGS1 (0.44) HTR2CMCHR1ALOX5PTGS1PTGS2
SCHEMBL9809840 0.70 MAPT (0.49) ALOX5ALOX12PTGS1PTGS2MAPT
SCHEMBL13394278 0.69 ALOX5 (0.47) ALOX5MAPTNR1H4

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-5004744-A Durability; effectiveness at low concentration BAYER AKTIENGESELLSCHAFT (DE) 1991-04-02 US disclosed