SCHEMBL8649258

SCHEMBL8649258

COC(=O)C(COc1ccccc1C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.55
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
NOTUM Q6P988 1/20 0.48
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL27263541 0.84 KMT2A (0.54) CYP1A2KMT2ATDP1
SCHEMBL7535615 0.80 SMN1; SMN2 (0.45) CYP1A2KMT2ASMN1; SMN2TDP1ALOX15
SCHEMBL819828 0.79 KMT2A (0.58) CYP1A2KMT2ASMN1; SMN2
SCHEMBL10791209 0.79 SCN4A (0.54) SCN4AKDM4ECYP1A2NOTUMKMT2A
SCHEMBL4811124 0.76 KMT2A (0.55) CYP1A2KMT2ASMN1; SMN2
SCHEMBL4811129 0.76 KMT2A (0.55) CYP1A2KMT2ASMN1; SMN2
Methyl Alcohol SCHEMBL28310472 0.75 SCN4A (0.47) SCN4AKDM4ECYP1A2KMT2ASMN1; SMN2
SCHEMBL8431597 0.75 KMT2A (0.46) CYP1A2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8484874 0.75 KMT2A (0.53) CYP1A2KMT2ASMN1; SMN2TDP1
SCHEMBL820937 0.75 KMT2A (0.53) KDM4EKMT2ASMN1; SMN2TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710314-A FUNGICIDES OR INSECTICIDES OF AROMATIC ETHERS WITH ESTER GROUPS OR AMIDES NOVARTIS CORPORATION (US) 1998-01-20 US disclosed
EP-0784606-A1 MICROBICIDES Novartis AG (CH) 1997-07-23 EP disclosed
WO-1996010556-A1 MICROBICIDES NOVARTIS AG (CH) 1996-04-11 WO disclosed