SCHEMBL4449475

SCHEMBL4449475

CCCCOc1cc(C)c(C)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ESR1 P03372 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RARB P10826 1/20 0.38
TLR8 Q9NR97 1/20 0.37
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
POLB P06746 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
SCHEMBL30367452 0.82 ESR1 (0.47) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL689246 0.82 ESR1 (0.47) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL12434156 0.82 ESR1 (0.49) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL16379032 0.80 TSHR (0.39) ALDH1A1KDM4ELMNAMAPTCYP1A2
SCHEMBL16069600 0.80 ESR1 (0.42) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL5588257 0.79 ESR1 (0.47) CYP1A2CYP2C9CYP2C19ESR1RARB
SCHEMBL17264198 0.78 ESR1 (0.46) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL24608167 0.78 CYP1A2 (0.52) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL18644554 0.77 NQO1 (0.40) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL6707482 0.77 LTA4H (0.44) CYP1A2CYP2C9CYP2C19LTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029048-A1 AMBIENT CURE WATER-BASED COATINGS FOR WRITABLE-ERASABLE SURFACES IDEAPAINT, INC. (US) 2013-01-31 US disclosed
US-8309653-B2 Ambient cure water-based coatings for writable-erasable surfaces IDEAPAINT, INC. (US) 2012-11-13 US disclosed
US-20090148603-A1 Ambient Cure Water-Based Coatings For Writable-Erasable Surfaces IDEA PAINT INC. (US) 2009-06-11 US disclosed