SCHEMBL27942018

SCHEMBL27942018

CC1=CC(=O)c2c(C)ccc(C(C)C)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
MAPK1 P28482 5/20 0.46
MEN1 O00255 3/20 0.46
BLM P54132 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 3/20 0.46
USP2 O75604 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
RECQL P46063 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
TXNRD1 Q16881 1/20 0.46
CYP3A4 P08684 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40

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
SCHEMBL13668567 0.82 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1MEN1BLM
SCHEMBL9863621 0.75 GPR55 (0.36) ALDH1A1MAPTMAPK1MEN1BLM
SCHEMBL898816 0.74 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1MEN1BLM
SCHEMBL19729087 0.66 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1MEN1BLM
SCHEMBL10945285 0.66 CDC25B (0.50) ALDH1A1MAPTMAPK1MEN1BLM
SCHEMBL13542836 0.66 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1MEN1BLM
SCHEMBL3275038 0.66 GPR55 (0.37) LMNATRPA1GPR55CA1CA2
SCHEMBL5811709 0.64 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1MEN1BLM
SCHEMBL5805855 0.64 ALDH1A1 (0.68) ALDH1A1MAPTMAPK1MEN1BLM
SCHEMBL29906401 0.64 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1MEN1BLM

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
CN-103666480-A Liquid crystal composition, liquid crystal cell and liquid crystal display device CHI MEI INDUSTRY CO LTD 2014-03-26 CN disclosed