SCHEMBL1741077

SCHEMBL1741077

C=CC(O)c1c(C)ccc(N)c1C(O)C=C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 2/20 0.30
CASP1 P29466 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL11422088 0.87
SCHEMBL24804430 0.75 ALDH1A1 (0.39) ALDH1A1TDP1TSHR
SCHEMBL6533908 0.72 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL505952 0.71 TDP1 (0.34) ALDH1A1TDP1CASP1CYP3A4TSHR
SCHEMBL5368315 0.69 ALDH1A1 (0.30) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8972685 0.68 MEN1 (0.37) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8523627 0.68 TDP1 (0.43) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL9961048 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5830708 0.67 LMNA (0.38) ALDH1A1TDP1CASP1CYP3A4TSHR
SCHEMBL1532606 0.66 CYP3A4 (0.37) ALDH1A1TDP1CASP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2390273-A1 DUAL-CURE CURABLE MATERIAL KIT Tokuyama Dental Corporation (JP) 2011-11-30 EP disclosed
US-20110255272-A1 Simulated candle apparatus PRIVAS YVES 2011-10-20 US disclosed