SCHEMBL13813635

SCHEMBL13813635

Bc1cc(Br)cc(Br)c1OC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.36
ELANE P08246 1/20 0.34
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 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
SCHEMBL297222 0.90 HSD17B10 (0.44) HSD17B10ALDH1A1ELANEALOX15ALOX12
SCHEMBL16281818 0.87 ELANE (0.34) HSD17B10ALDH1A1ELANEMAPTKMT2A
SCHEMBL16542783 0.83 ELANE (0.36) HSD17B10ALDH1A1ELANEMAPTKMT2A
SCHEMBL7618929 0.80 GABRA1 (0.41) HSD17B10ALDH1A1ELANETSHR
SCHEMBL7620486 0.80 HSD17B10 (0.37) HSD17B10ALDH1A1ELANEALOX15ALOX12
SCHEMBL1837592 0.80 HSD17B10 (0.37) HSD17B10ALDH1A1ELANEALOX15ALOX12
SCHEMBL27710684 0.76 ELANE (0.36) HSD17B10ALDH1A1ELANEMAPTKMT2A
SCHEMBL10930754 0.74 HSD17B10 (0.39) HSD17B10KMT2AATMTSHR
SCHEMBL23855075 0.73 HSD17B10 (0.48) HSD17B10ALDH1A1ALOX15ALOX12MAPT
SCHEMBL11482792 0.73 MAPT (0.36) HSD17B10ALDH1A1ELANEMAPTLMNA

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
EP-2072577-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2009-06-24 EP disclosed