SCHEMBL2455799

SCHEMBL2455799

CCCCC(CC)COC(=O)c1cccc(Cc2ccccc2)c1C(=O)OCC(CC)CCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
CYP3A4 P08684 6/20 0.67
CA2 P00918 1/20 0.67
LMNA P02545 4/20 0.62
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
TSHR P16473 9/20 0.52
MAPK1 P28482 4/20 0.52
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL28374845 0.96 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL2455803 0.94 ALDH1A1 (0.66) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL10762798 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL10521273 0.86 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL6578122 0.86 ALDH1A1 (0.81) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL2585784 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL6579655 0.83 ALDH1A1 (0.73) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL6008816 0.83 ALDH1A1 (0.73) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL10589872 0.82 ALDH1A1 (0.64) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28071901 0.82 TSHR (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185998-A1 COATING SYSTEM FOR CEMENT COMPOSITE ARTICLES BARCLAYS BANK PLC, AS COLLATERAL AGENT 2016-06-30 US disclosed
US-9133064-B2 Coating system for cement composite articles VALSPAR SOURCING, INC. (US) 2015-09-15 US disclosed
US-20110236693-A1 COATING SYSTEM FOR CEMENT COMPOSITE ARTICLES VALSPAR SOURCING, INC. 2011-09-29 US disclosed
WO-2010060109-A1 COATING SYSTEM FOR CEMENT COMPOSITE ARTICLES VALSPAR SOURCING, INC. (US) 2010-05-27 WO disclosed
US-4252852-A Aqueous vinyl coatings ROHM AND HAAS COMPANY (US) 1981-02-24 US disclosed