SCHEMBL7961868

SCHEMBL7961868

CC(=O)c1ccc(CC(=O)c2c(O)cc(C)oc2=O)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.51
ALDH1A1 P00352 8/20 0.49
MAPT P10636 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
RECQL P46063 1/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
GAA P10253 4/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
USP2 O75604 2/20 0.41
PPARG P37231 1/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL7950033 0.86 ELANE (0.56) ELANEALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL7958244 0.83 ELANE (0.57) ELANEALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL7960312 0.80 ELANE (0.50) ELANEALDH1A1MAPTL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL5207751 0.78 ELANE (0.51) ELANEALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL7959726 0.78 ELANE (0.53) ELANEALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL5207629 0.76 MAPT (0.65) ELANEALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL7960034 0.76 ELANE (0.49) ELANEALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL27509489 0.76 ELANE (0.49) ELANEALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL1308058 0.76 KMT2A (0.59) ELANEALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL7960609 0.75 ESR1 (0.55) ELANEALDH1A1MAPTL3MBTL1KDM4E

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-6184245-B1 Cyclic ketone derivatives and their medical applications TORAY INDUSTRIES INC. (JP) 2001-02-06 US disclosed