SCHEMBL6972608

SCHEMBL6972608

[O]C(=O)Oc1ccccc1OC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.66
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
SLC6A3 Q01959 1/20 0.58
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
HSD17B10 Q99714 2/20 0.56
MEN1 O00255 2/20 0.56
GAA P10253 2/20 0.56
JAK2 O60674 1/20 0.56
USP2 O75604 1/20 0.56
ALOX15 P16050 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SERPINE1 P05121 1/20 0.53
LMNA P02545 2/20 0.52
F2 P00734 1/20 0.52
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
TOP1 P11387 1/20 0.51

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
SCHEMBL725404 0.91 KMT2A (0.76) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
Bromide SCHEMBL29588519 0.89 KMT2A (0.73) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
Hydrochloric Acid SCHEMBL16050041 0.89 KMT2A (0.73) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
Acetic Acid SCHEMBL29588064 0.85 KMT2A (0.68) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL27853856 0.83 KMT2A (0.66) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL8205898 0.82 MAPT (0.63) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL1671519 0.82 PRSS1 (0.66) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL5162031 0.82 KMT2A (0.63) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL29749397 0.82 PRSS1 (0.66) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL31517375 0.81 KMT2A (0.68) KMT2AMAPTSMN1; SMN2SLC6A3ESR1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed