SCHEMBL19628299

SCHEMBL19628299

Cc1ccc(OCOC2=CC=C(OC(=O)c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 5/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
MAOB P27338 1/20 0.41
GBA1 P04062 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPC1 O15118 1/20 0.40
PARP10 Q53GL7 1/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL14515831 0.85 KMT2A (0.55) KMT2ALMNAMAPTHPGDALDH1A1
SCHEMBL10040438 0.82 PRSS1 (0.58) KMT2ALMNAMAPTHPGDALDH1A1
SCHEMBL23720647 0.80 KMT2A (0.50) KMT2ALMNAMAPTHPGDALDH1A1
SCHEMBL20693207 0.78 HTT (0.59) KMT2ALMNAMAPTCYP1A2CYP2C9
SCHEMBL20693210 0.78 THRB (0.44) KMT2ALMNAMAPTHPGDALDH1A1
SCHEMBL20693281 0.77 THRB (0.43) KMT2ALMNAMAPTHPGDALDH1A1
SCHEMBL21883825 0.77 HTT (0.44) KMT2ALMNAMAPTHPGDALDH1A1
SCHEMBL20693138 0.77 HTT (0.44) KMT2ALMNAMAPTHPGDALDH1A1
SCHEMBL14204848 0.75 PRSS1 (0.51) KMT2ALMNAMAPTHPGDALDH1A1
SCHEMBL12228227 0.74 MAOB (0.47) KMT2AMAPTHPGDALDH1A1PRSS1

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
WO-2017198586-A1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2017-11-23 WO disclosed