SCHEMBL6072978

SCHEMBL6072978

CC(C)CC=C(CC(C)C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ASF1A Q9Y294 1/20 0.37
GRIK1 P39086 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4827392 0.82 HDAC1 (0.38) MAPTSMN1; SMN2KDM4ETDP1HDAC1
SCHEMBL317823 0.78 MTNR1A (0.47) ASF1AALDH1A1
SCHEMBL14837249 0.76 KDM1A (0.39) ASF1A
SCHEMBL8478752 0.74 ASF1A (0.38) ASF1AGRIK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13681453 0.73 POLB (0.45) SMN1; SMN2KMT2ALMNA
SCHEMBL18660610 0.73 MAPT (0.36) MAPTSMN1; SMN2KDM4ETDP1ALDH1A1
SCHEMBL13503753 0.72 ESRRG (0.39) MAPTMAOB
SCHEMBL13503866 0.72 SIGMAR1 (0.41) ALDH1A1KMT2ALMNA
SCHEMBL891343 0.72 ALDH1A1 (0.41) ASF1AGRIK1MAPTSMN1; SMN2KDM4E
SCHEMBL2432464 0.72 ALDH1A1 (0.41) ASF1AGRIK1MAPTSMN1; SMN2KDM4E

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-2006022731-A1 REUSABLE FRIEDEL-CRAFTS CATALYSTS, THEIR USE, AND THEIR REGENERATION ALBEMARLE CORPORATION (US) 2006-03-02 WO disclosed