SCHEMBL6966397

SCHEMBL6966397

[O]C(=O)Cc1ccccc1OC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 2/20 0.52
SLC6A3 Q01959 1/20 0.50
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
JAK2 O60674 1/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 2/20 0.45
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TOP1 P11387 1/20 0.45
F2 P00734 1/20 0.44
PARP1 P09874 1/20 0.43

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
SCHEMBL11847525 0.88 MAPT (0.58) KMT2AMAPTSMN1; SMN2NPSR1SLC6A3
SCHEMBL31112176 0.88 MAPT (0.58) KMT2AMAPTSMN1; SMN2NPSR1SLC6A3
SCHEMBL31112550 0.85 KMT2A (0.54) KMT2AMAPTSMN1; SMN2NPSR1SLC6A3
Lithium Ion SCHEMBL11844852 0.83 KMT2A (0.53) KMT2AMAPTSMN1; SMN2NPSR1SLC6A3
SCHEMBL434556 0.82 KMT2A (0.59) KMT2AMAPTSMN1; SMN2NPSR1SLC6A3
SCHEMBL29412194 0.82 KMT2A (0.59) KMT2AMAPTSMN1; SMN2NPSR1SLC6A3
SCHEMBL6668242 0.82 KMT2A (0.59) KMT2AMAPTSMN1; SMN2NPSR1SLC6A3
SCHEMBL16241898 0.82 KMT2A (0.59) KMT2AMAPTSMN1; SMN2NPSR1SLC6A3
SCHEMBL26360384 0.82 KMT2A (0.51) KMT2AMAPTSMN1; SMN2NPSR1SLC6A3
SCHEMBL3505032 0.81 NPSR1 (0.74) KMT2AMAPTSMN1; SMN2NPSR1SLC6A3

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