SCHEMBL21169513

SCHEMBL21169513

COCCOCCCOCc1cccc(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
MRGPRX4 Q96LA9 6/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.48
SLC7A5 Q01650 1/20 0.48
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FOLH1 Q04609 1/20 0.45
NPC1 O15118 1/20 0.45
ABHD6 Q9BV23 1/20 0.44

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
SCHEMBL18105881 0.86 CYP4F2 (0.64) LOXL2CYP4F2CYP4A11MRGPRX4KDM4E
SCHEMBL18105883 0.86 CYP4F2 (0.64) LOXL2CYP4F2CYP4A11MRGPRX4KDM4E
SCHEMBL6000185 0.84 LOXL2 (0.70) LOXL2CYP4F2CYP4A11MRGPRX4KDM4E
SCHEMBL5277923 0.83 CYP4F2 (0.68) LOXL2CYP4F2CYP4A11MRGPRX4KDM4E
SCHEMBL45113 0.83 MRGPRX4 (0.57) MRGPRX4ALDH1A1RAB9ASMN1; SMN2NPSR1
SCHEMBL27450239 0.82 MRGPRX4 (0.56) MRGPRX4ALDH1A1RAB9ASMN1; SMN2NPSR1
SCHEMBL18105808 0.82 LOXL2 (0.52) LOXL2CYP4F2CYP4A11MRGPRX4KDM4E
SCHEMBL18105809 0.82 LOXL2 (0.52) LOXL2CYP4F2CYP4A11MRGPRX4KDM4E
SCHEMBL28277763 0.81 MRGPRX4 (0.58) MRGPRX4ALDH1A1RAB9ASMN1; SMN2NPSR1
SCHEMBL28869399 0.81 LOXL2 (0.62) LOXL2CYP4F2CYP4A11MRGPRX4KDM4E

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-3274340-B1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA INC (US) 2019-07-17 EP disclosed