SCHEMBL11209583

SCHEMBL11209583

COC(=O)CC(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.53
HTR2A P28223 4/20 0.46
SLC6A4 P31645 4/20 0.46
KCNH2 Q12809 4/20 0.46
MEN1 O00255 1/20 0.45
TTR P02766 1/20 0.45
PPOX P50336 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.41
PPARG P37231 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL10879456 0.91 FFAR1 (0.59) FFAR1HTR2ASLC6A4KCNH2MEN1
SCHEMBL11442480 0.87 FFAR1 (0.52) FFAR1HTR2ASLC6A4KCNH2MEN1
SCHEMBL11186418 0.85 FFAR1 (0.60) FFAR1HTR2ASLC6A4KCNH2MEN1
SCHEMBL11396041 0.85 FFAR1 (0.54) FFAR1HTR2ASLC6A4KCNH2MEN1
SCHEMBL11442078 0.84 FFAR1 (0.53) FFAR1HTR2ASLC6A4KCNH2MEN1
SCHEMBL10616720 0.82 FFAR1 (0.47) FFAR1HTR2ASLC6A4KCNH2MEN1
SCHEMBL10878183 0.82 FFAR1 (0.56) FFAR1HTR2ASLC6A4KCNH2MEN1
SCHEMBL11258317 0.81 FFAR1 (0.54) FFAR1HTR2ASLC6A4KCNH2MEN1
SCHEMBL10616729 0.80 FFAR1 (0.46) FFAR1HTR2ASLC6A4KCNH2MEN1
SCHEMBL8748928 0.80 FFAR1 (0.54) FFAR1HTR2ASLC6A4KCNH2MEN1

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
EP-0034120-B1 DERIVATIVES OF PHENOXY-PHENOXY-CARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1983-12-14 EP disclosed