SCHEMBL11072799

SCHEMBL11072799

CCC(C)c1cc(C(C)CC)c2sc3ccccc3c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
POLB P06746 3/20 0.47
LMNA P02545 3/20 0.47
HCRTR1 O43613 1/20 0.47
KDM4E B2RXH2 4/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 2/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
HDAC4 P56524 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
SCHEMBL11046600 0.82 KDM4E (0.53) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL36830 0.82 ALDH1A1 (0.50) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL29352651 0.82 ALDH1A1 (0.50) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL27729046 0.81 MAPT (0.49) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL16749790 0.80 ALDH1A1 (0.48) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL16749660 0.77 ALDH1A1 (0.46) MAPTALDH1A1L3MBTL1POLBLMNA
Anthraquinone SCHEMBL28090249 0.77 MAPT (0.46) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL11069541 0.77 MAPT (0.48) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL21896337 0.76 MAPT (0.48) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL6043579 0.76 MAPT (0.40) MAPTALDH1A1L3MBTL1POLBLMNA

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-4450279-A PHOTOPOLYMERIZATION SENSITIZERS FOR UNSATURATED MONOMERS; RAPID HARDENING; STORAGE STABILITY NIPPON, KAYAKU, KABUSHIKI, KAISHA (JP) 1984-05-22 US disclosed