SCHEMBL9810083

SCHEMBL9810083

O=CC1=Cc2ccc(F)cc2OC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.44
PTGS2 P35354 4/20 0.44
NR3C2 P08235 6/20 0.34
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2C P28335 2/20 0.32
MCHR1 Q99705 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NOTUM Q6P988 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
SCHEMBL10088928 0.85 PDE3B (0.38) PTGS1PTGS2NR3C2KDM4EESR1
SCHEMBL10088484 0.81 NR3C2 (0.53) PTGS1PTGS2NR3C2
SCHEMBL2324684 0.80 TYR (0.41) PTGS1PTGS2KDM4EPOLBESR1
SCHEMBL31544361 0.76 ALOX5 (0.54) PTGS1PTGS2ALOX5KDM4ETDP1
SCHEMBL10088934 0.76 RARA (0.38) PTGS1PTGS2ALOX5KDM4EPOLB
SCHEMBL9729530 0.76 ALOX5 (0.54) PTGS1PTGS2ALOX5KDM4ETDP1
SCHEMBL10088907 0.76 ALOX5 (0.40) PTGS1PTGS2ALOX5KDM4EPOLB
SCHEMBL31265526 0.76 ALDH1A1 (0.43) PTGS1PTGS2KDM4EPOLBTDP1
SCHEMBL29804937 0.75 PTGS1 (0.51) PTGS1PTGS2ALOX5KDM4EPOLB
SCHEMBL2568148 0.75 PTGS1 (0.51) PTGS1PTGS2ALOX5KDM4EPOLB

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