SCHEMBL9182008

SCHEMBL9182008

CC(C)(C)c1cc(CCCCc2cc(C3CCCCC3)c(O)c(C(C)(C)C)c2)cc(C2CCCCC2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 6/20 0.43
TDP1 Q9NUW8 1/20 0.43
NUDT1 P36639 1/20 0.41
BACE1 P56817 1/20 0.41
GAA P10253 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
CNR1 P21554 1/20 0.37
MAPK1 P28482 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
BLM P54132 2/20 0.37
ATM Q13315 2/20 0.37
HIF1A Q16665 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GMNN O75496 1/20 0.37
GABBR2 O75899 1/20 0.37

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
SCHEMBL9184731 0.99 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1NUDT1BACE1
SCHEMBL9176725 0.99 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1NUDT1BACE1
SCHEMBL9182641 0.99 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1NUDT1BACE1
SCHEMBL9181332 0.99 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1NUDT1BACE1
SCHEMBL9176613 0.99 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1NUDT1BACE1
SCHEMBL9182090 0.99 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1NUDT1BACE1
SCHEMBL9184712 0.99 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1NUDT1BACE1
SCHEMBL9182462 0.99 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1NUDT1BACE1
SCHEMBL27393006 0.95 CNR1 (0.45) ALDH1A1KDM4ETDP1NUDT1BACE1
SCHEMBL27394691 0.93 CNR1 (0.47) ALDH1A1KDM4ETDP1GAAKMT2A

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-5473003-A A styrene copolymer blend comprising a stabilizer for heat, oxidation, chemical and actinic radiation resistance CIBA-GEIGY CORPORATION (US) 1995-12-05 US disclosed