SCHEMBL17364494

SCHEMBL17364494

C=CC(=O)Cc1ccc(C(=O)Oc2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MAPT P10636 3/20 0.52
GFER P55789 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PRSS1 P07477 2/20 0.49
ACR P10323 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HTT P42858 1/20 0.46
PKM P14618 3/20 0.46
TMPRSS2 O15393 1/20 0.45
KLK1 P06870 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3152379 0.88 HTT (0.58) MAPTSMN1; SMN2LMNACYP2C19HTT
SCHEMBL17364501 0.87 KMT2A (0.50) KMT2AMAPTSMN1; SMN2LMNAHTT
SCHEMBL14192345 0.86 THRB (0.62) KMT2AMAPTSMN1; SMN2PRSS1ACR
SCHEMBL14192431 0.86 PRSS1 (0.45) KMT2AMAPTSMN1; SMN2LMNACYP1A2
SCHEMBL17754291 0.83 MAPT (0.52) KMT2AMAPTGFERSMN1; SMN2LMNA
SCHEMBL17754290 0.83 MAPT (0.52) KMT2AMAPTGFERSMN1; SMN2LMNA
SCHEMBL17754333 0.83 MAPT (0.52) KMT2AMAPTGFERSMN1; SMN2LMNA
SCHEMBL14192520 0.83 THRB (0.58) KMT2AMAPTSMN1; SMN2PRSS1ACR
SCHEMBL9303582 0.82 SMN1; SMN2 (0.67) KMT2AMAPTGFERSMN1; SMN2LMNA
SCHEMBL9303606 0.82 SMN1; SMN2 (0.67) KMT2AMAPTGFERSMN1; SMN2LMNA

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-9222022-B2 Polymer-stabilized optical isotropic liquid crystal formulation and optical isotropic liquid crystal device INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-12-29 US disclosed