SCHEMBL9458426

SCHEMBL9458426

COC(=O)C1(C(=O)OC)C=CC(c2cccc(C)c2)C=C1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.43
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HDAC4 P56524 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 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
SCHEMBL2165693 0.76 KMT2A (0.36) MEN1KMT2AHDAC4TDP1L3MBTL1
Methane SCHEMBL6545484 0.75 KMT2A (0.36) MEN1KMT2AHDAC4TDP1L3MBTL1
SCHEMBL9288607 0.71 LMNA (0.41) MEN1KMT2AALDH1A1GAAHDAC4
SCHEMBL5175848 0.69 TDP1 (0.33) MEN1KMT2AHDAC4TDP1L3MBTL1
SCHEMBL28885394 0.68 OPRK1 (0.50) OPRK1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL6151708 0.65 ACHE (0.52) MEN1KMT2AALDH1A1HDAC4TDP1
SCHEMBL8970777 0.65 MAPT (0.43) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL7141443 0.64 HDAC4 (0.37) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL6984486 0.64 KMT2A (0.34) MEN1KMT2AHDAC4TDP1L3MBTL1
SCHEMBL11453583 0.63 HTT (0.41) MEN1KMT2AALDH1A1HSD17B10KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5243067-A Oxidative coupling UBE INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed
EP-0439616-A1 METHOD OF PRODUCING 3,4,3',4'-SUBSTITUTED BIPHENYL COMPOUNDS UBE INDUSTRIES, LTD. (JP) 1991-08-07 EP disclosed