SCHEMBL9696121

SCHEMBL9696121

O=C(OCc1ccccc1)c1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)c4ccc(C(=O)OCc5ccccc5)cc4)cc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.73
TDP1 Q9NUW8 3/20 0.73
SLC6A2 P23975 1/20 0.73
SLC6A3 Q01959 1/20 0.73
LMNA P02545 3/20 0.72
MAPT P10636 6/20 0.62
ALDH1A1 P00352 5/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.59
MEN1 O00255 3/20 0.58
PARP10 Q53GL7 1/20 0.57
GAA P10253 3/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.53
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
ESR1 P03372 1/20 0.53

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
SCHEMBL10344103 1.00 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL8198304 0.98 KMT2A (0.77) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL10708477 0.95 LMNA (0.81) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL17212781 0.94 KMT2A (0.65) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL28087287 0.93 TDP1 (0.79) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL10344295 0.92 KMT2A (0.68) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL17212838 0.92 KMT2A (0.63) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL10709793 0.92 KMT2A (0.63) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9369162 0.92 KMT2A (0.67) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL10597179 0.92 KMT2A (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA

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-5143956-A Blends with low molecular weight liquid crystals BAYER AKTIENGESELLSCHAFT (DE) 1992-09-01 US disclosed