SCHEMBL21540141

SCHEMBL21540141

C1=CC(Oc2ccc(Oc3ccccc3)cc2)=CCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.46
TSHR P16473 1/20 0.46
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAOA P21397 1/20 0.42
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
KDM1A O60341 1/20 0.38
MGLL Q99685 1/20 0.38
IDH1 O75874 1/20 0.37
GSTP1 P09211 1/20 0.36
SOS1 Q07889 1/20 0.36
CA9 Q16790 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PLA2G2A P14555 1/20 0.36
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36

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
SCHEMBL10273562 0.96 LTA4H (0.44) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL14188917 0.87 KMT2A (0.38) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL11568631 0.82 LTA4H (0.48) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL12153390 0.81 ALDH1A1 (0.48) LTA4HTSHRMAOAPARP10MAOB
SCHEMBL18726479 0.81 ESR2 (0.48) LTA4HNR1H2BAXPARP10
SCHEMBL8348295 0.81 MAOA (0.41) LTA4HMAOAMAOB
SCHEMBL23098251 0.80 MGLL (0.47) CA1CA2MGLLCA9
SCHEMBL19159500 0.77
SCHEMBL19346893 0.77 RAB9A (0.46) TSHRCA1CA2CA9MAOB
SCHEMBL14081102 0.77

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-3560968-A1 COMPOSITION, CURED PRODUCT AND LAMINATE DIC Corporation (JP) 2019-10-30 EP disclosed