SCHEMBL5012586

SCHEMBL5012586

C=C(C#N)C(=O)Oc1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
ELANE P08246 3/20 0.39
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
XBP1 P17861 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
CASP6 P55212 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CISD1 Q9NZ45 1/20 0.36
SLC16A3 O15427 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL28459480 0.84 ALDH1A1 (0.39) ALDH1A1TSHRELANEKMT2ACYP3A4
SCHEMBL2445881 0.84 LMNA (0.50) ALDH1A1TSHRELANEGAAKMT2A
SCHEMBL604740 0.83 HSD17B10 (0.48) ALDH1A1TSHRELANEMAPTKDM4E
SCHEMBL9274695 0.80 ALDH1A1 (0.40) ALDH1A1TSHRELANEGAAMAPT
SCHEMBL8956718 0.80 ALDH1A1 (0.40) ALDH1A1TSHRELANEMAPTKMT2A
SCHEMBL8382293 0.80 ALDH1A1 (0.47) ALDH1A1TSHRELANEKMT2ATHRB
SCHEMBL28040187 0.79 HSD17B10 (0.44) ALDH1A1TSHRELANEMAPTKMT2A
SCHEMBL28237096 0.78 MAOB (0.54) GAAMAPTKMT2AMEN1KDM4E
SCHEMBL10356467 0.77 ESR2 (0.52) ALDH1A1ELANEGAAMAPTXBP1
SCHEMBL10782092 0.76 ELANE (0.44) ELANEGAAMAPTXBP1KMT2A

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-20080108844-A1 Non Hydroquinone Cyanoacrylate Cracking Process CHEMENCE LIMITED (GB) 2008-05-08 US disclosed