SCHEMBL8530624

SCHEMBL8530624

CON=C(C(=O)OC)c1ccccc1.c1ccc2c(c1)CC(Oc1ccc3c(c1)CO3)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KMT2A Q03164 2/20 0.39
ACSL1 P33121 1/20 0.38
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
TBXA2R P21731 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MTNR1A P48039 3/20 0.36
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 3/20 0.35

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
SCHEMBL8530641 0.93 ACSL1 (0.37) MAPTKMT2AACSL1PDE4APDE4B
SCHEMBL8530419 0.84 FFAR1 (0.40) MAPTKMT2AACSL1PDE4APDE4B
SCHEMBL8530539 0.80 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL8527436 0.77 EDNRB (0.35) MAPTKMT2ATBXA2RALDH1A1HIF1A
SCHEMBL8530035 0.76 HAO1 (0.37) MAPTKMT2APDE4APDE4BPDE4C
SCHEMBL8529484 0.74 MTNR1A (0.40) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL8530488 0.74 HDAC9 (0.33) MAPTKMT2AALDH1A1TDP1HIF1A
SCHEMBL27446293 0.72 TSHR (0.50) MAPTKMT2ASMN1; SMN2KDM4EGAA
SCHEMBL7457347 0.72 TSHR (0.50) MAPTKMT2ASMN1; SMN2KDM4EGAA
SCHEMBL8530444 0.72 HIF1A (0.35) MAPTKMT2AALDH1A1HIF1AMEN1

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-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US disclosed