SCHEMBL13409398

SCHEMBL13409398

CC(C)Oc1nccc2c3c(ccc12)OCO3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAD Q92934 6/20 0.38
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
RGS17 Q9UGC6 2/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
CDC42 P60953 1/20 0.35
RAC1 P63000 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LRRK2 Q5S007 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
SCHEMBL13409368 0.89 LRRK2 (0.35) KDM4EALDH1A1HPGDLRRK2HTT
SCHEMBL8274161 0.84 NQO2 (0.42) BADLMNASMN1; SMN2KDM4EMEN1
SCHEMBL8272978 0.78 BAD (0.43) BADLMNASMN1; SMN2KDM4EMEN1
SCHEMBL13409369 0.76 DRD1 (0.37) LRRK2
SCHEMBL13409371 0.76 LRRK2 (0.34) LRRK2
SCHEMBL13409399 0.76 LRRK2 (0.32) LRRK2ACHE
SCHEMBL1536338 0.73 LMNA (0.43) BADLMNASMN1; SMN2KDM4EMEN1
SCHEMBL8353494 0.72 BAD (0.40) BADLMNASMN1; SMN2KDM4EMEN1
SCHEMBL13302264 0.72 BAD (0.40) BADLMNASMN1; SMN2KDM4EMEN1
SCHEMBL8272613 0.72 ADRA2A (0.37) SMN1; SMN2KDM4EALDH1A1MAPTHPGD

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