SCHEMBL7620486

SCHEMBL7620486

C=C(C)C(=O)Oc1c(Br)cc(Br)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
ATM Q13315 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ELANE P08246 1/20 0.32
VCAM1 P19320 1/20 0.31
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL1837592 0.91 HSD17B10 (0.37) HSD17B10PTGDR2ATMALDH1A1LMNA
SCHEMBL297222 0.85 HSD17B10 (0.44) HSD17B10ATMALDH1A1TDP1LMNA
SCHEMBL13813635 0.80 HSD17B10 (0.40) HSD17B10ATMALDH1A1LMNAMAPT
SCHEMBL10864666 0.78 VCAM1 (0.39) HSD17B10ATMALDH1A1TDP1LMNA
SCHEMBL674146 0.76 ALDH1A1 (0.44) HSD17B10ATMALDH1A1TDP1MAPT
SCHEMBL7618929 0.76 GABRA1 (0.41) HSD17B10ALDH1A1ELANE
SCHEMBL7761353 0.75 PTGDR2 (0.41) PTGDR2VCAM1
SCHEMBL30325932 0.75 CA1 (0.49) ATMALDH1A1TDP1MAPTELANE
SCHEMBL15709517 0.74 PTGDR2 (0.39) HSD17B10PTGDR2ALDH1A1LMNAMAPT
SCHEMBL30340743 0.72 THRB (0.38) HSD17B10PTGDR2TDP1LMNAMAPT

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-0994844-B1 HIGH INDEX OF REFRACTION MONOMERS MINNESOTA MINING & MFG (US) 2002-07-31 EP claimed