SCHEMBL8717367

SCHEMBL8717367

O=C(OCc1ccccc1)c1ccc2oc(C(=O)OCc3ccccc3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
LMNA P02545 4/20 0.55
MAPT P10636 3/20 0.54
HTT P42858 1/20 0.54
AKR1B1 P15121 1/20 0.54
RAB9A P51151 6/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL8712740 0.93 KMT2A (0.54) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6622934 0.93 MAPT (0.53) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6981476 0.92 MAPT (0.50) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL7410741 0.89 AKR1B1 (0.47) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6985338 0.87 AKR1B1 (0.66) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL21187892 0.85 MAPT (0.68) KMT2ATDP1SLC6A2SLC6A3MAPT
SCHEMBL22479070 0.85 AKR1B1 (0.53) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL22479063 0.85 PIM1 (0.60) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL4924372 0.85 AKR1B1 (0.53) KMT2ATDP1SLC6A2SLC6A3MAPT
SCHEMBL15714290 0.84 PIM1 (0.63) 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-5739350-A COMPOUNDS CAPABLE OF BEING LINKED TO MONOCLONAL ANTIBODIES FOR DELIVERY TO TARGET CELLS PHARMACIA & UPJOHN COMPANY (US) 1998-04-14 US disclosed