SCHEMBL9682438

SCHEMBL9682438

O=C(Oc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.71
ACR P10323 3/20 0.71
KIF11 P52732 1/20 0.58
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MAPT P10636 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TRPV1 Q8NER1 1/20 0.54
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
PARP10 Q53GL7 1/20 0.50
SRD5A2 P31213 1/20 0.50
MAOB P27338 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
F2 P00734 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49

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
SCHEMBL28639038 1.00 PRSS1 (0.71) PRSS1ACRKIF11CES2CES1
SCHEMBL28641893 0.93 PRSS1 (0.64) PRSS1ACRKIF11CES2CES1
SCHEMBL8074121 0.93 PRSS1 (0.64) PRSS1ACRKIF11CES2CES1
SCHEMBL14640734 0.93 PRSS1 (0.64) PRSS1ACRKIF11CES2CES1
SCHEMBL14640390 0.93 PRSS1 (0.64) PRSS1ACRKIF11CES2CES1
SCHEMBL8072562 0.91 LMNA (0.63) PRSS1ACRKIF11MAPTTDP1
SCHEMBL8058452 0.91 LMNA (0.63) PRSS1ACRKIF11MAPTTDP1
SCHEMBL30576748 0.91 PRSS1 (0.71) PRSS1ACRKIF11CES2CES1
SCHEMBL21771902 0.91 MAPT (0.71) PRSS1ACRKIF11CES2CES1
SCHEMBL11059672 0.91 PRSS1 (0.62) PRSS1ACRKIF11CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089590-A LIQUID CRYSTALLINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS MODIFIERS FOR POLYCARBONATES, POLYESTER CARBONATES AND POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-5084549-A Aromatic polyesters as thermoplastic molding materials BAYER AKTIENGESELLSCHAFT (DE) 1992-01-28 US disclosed