SCHEMBL13409388

SCHEMBL13409388

CCOc1cc(C(C)C)c2cccc(C)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 5/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.38
PDPK1 O15530 2/20 0.36
ELANE P08246 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.36
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL8273081 0.84 MAPT (0.57) L3MBTL1KMT2AMEN1KDM4EMAPT
SCHEMBL13409393 0.84 MAPT (0.38) L3MBTL1MAPTALDH1A1LMNAELANE
SCHEMBL13409387 0.84 LMNA (0.35) KMT2AALDH1A1LMNAELANENPC1
SCHEMBL13409394 0.84 NR4A2 (0.42) L3MBTL1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL13409396 0.83 KDM4E (0.43) L3MBTL1KMT2AMEN1KDM4EMAPT
SCHEMBL13409386 0.82 POLB (0.36) L3MBTL1KMT2AKDM4EMAPTALDH1A1
SCHEMBL13409391 0.81 ADORA3 (0.34) L3MBTL1KMT2AMEN1KDM4EALDH1A1
SCHEMBL8277736 0.81 KDM4E (0.48) L3MBTL1KMT2AMEN1KDM4EMAPT
SCHEMBL8271698 0.81 KMT2A (0.46) L3MBTL1KMT2AMEN1KDM4EMAPT
SCHEMBL8142999 0.79 MAPT (0.49) L3MBTL1KMT2AMEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed