SCHEMBL14723720

SCHEMBL14723720

Cc1cc2oc3cc(CCCCCN)oc(=O)c3c2cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.37
NT5E P21589 2/20 0.36
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
CLK2 P49760 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
THRB P10828 2/20 0.34
AKR1B1 P15121 1/20 0.34
HPGD P15428 1/20 0.34
MCL1 Q07820 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10135393 0.95 ELANE (0.37) ELANENT5EKMT2AMEN1MAPT
SCHEMBL10135414 0.94 NT5E (0.37) ELANENT5EKMT2AMEN1MAPT
SCHEMBL10135416 0.90 NT5E (0.43) ELANENT5EKMT2AMEN1MAPT
SCHEMBL13018972 0.89 ELANE (0.48) ELANEMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL10181803 0.89 NT5E (0.44) ELANENT5EKMT2AMEN1MAPT
SCHEMBL14723721 0.86 ELANE (0.36) ELANENT5EKMT2AMEN1MAPT
SCHEMBL10135395 0.84 ELANE (0.48) ELANEMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10135394 0.83 ELANE (0.46) ELANEMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL10183482 0.81 NT5E (0.34) ELANENT5EKMT2AMEN1MAPT
SCHEMBL10181459 0.80 ELANE (0.51) ELANENT5EKMT2AMEN1MAPT

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-8383088-B2 Coumestan-like antioxidants and UV absorbants BASF SE (DE) 2013-02-26 US disclosed