SCHEMBL21579366

SCHEMBL21579366

COC(=O)c1cccc(CNCc2cccc(C(=O)OC)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.70
CYP4F2 P78329 2/20 0.68
CYP4A11 Q02928 2/20 0.68
HIF1A Q16665 1/20 0.59
SLC7A5 Q01650 1/20 0.59
MRGPRX4 Q96LA9 2/20 0.55
SENP1 Q9P0U3 1/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ROCK2 O75116 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.52
HDAC1 Q13547 1/20 0.51
HPGD P15428 1/20 0.51
FOLH1 Q04609 1/20 0.51
MEP1B Q16820 1/20 0.50

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
SCHEMBL308038 0.95 LOXL2 (0.64) LOXL2CYP4F2CYP4A11HIF1ASLC7A5
SCHEMBL14143797 0.92 LOXL2 (0.64) LOXL2CYP4F2CYP4A11HIF1ASLC7A5
SCHEMBL4767651 0.89 HDAC1 (0.60) LOXL2CYP4F2CYP4A11MRGPRX4ALDH1A1
SCHEMBL28206342 0.89 CYP4F2 (0.68) LOXL2CYP4F2CYP4A11HIF1ASLC7A5
SCHEMBL45633 0.88 LOXL2 (0.68) LOXL2CYP4F2CYP4A11HIF1ASLC7A5
SCHEMBL6566661 0.88 LOXL2 (0.59) LOXL2CYP4F2CYP4A11HIF1ASLC7A5
SCHEMBL1402945 0.86 LOXL2 (0.71) LOXL2CYP4F2CYP4A11HIF1ASLC7A5
SCHEMBL8246303 0.86 LOXL2 (0.66) LOXL2CYP4F2CYP4A11HIF1ASLC7A5
SCHEMBL21089603 0.86 HIF1A (0.61) LOXL2CYP4F2CYP4A11HIF1ASLC7A5
SCHEMBL9238872 0.86 SMN1; SMN2 (0.59) LOXL2CYP4F2CYP4A11HIF1ASLC7A5

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-20190352459-A1 Chemical Compounds For Coating Of Nanostructures SPAGO NANOMEDICAL AB (SE) 2019-11-21 US disclosed