SCHEMBL8545744

SCHEMBL8545744

COc1cc(C(=O)COC(=O)[C@@H]2CCCN2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 3/20 0.46
OPRK1 P41145 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39

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
Hydrochloric Acid SCHEMBL8547628 0.99 L3MBTL1 (0.47) L3MBTL1MAPK1OPRK1TDP1KDM4E
SCHEMBL11452675 0.82 MAPK1 (0.44) L3MBTL1MAPK1OPRK1TDP1KDM4E
SCHEMBL21241652 0.79 L3MBTL1 (0.47) L3MBTL1MAPK1TDP1KDM4EKMT2A
SCHEMBL22861532 0.79 L3MBTL1 (0.47) L3MBTL1MAPK1TDP1KDM4EKMT2A
SCHEMBL22861597 0.79 FKBP1A (0.52) KDM4EALDH1A1
SCHEMBL21241653 0.79 FKBP1A (0.52) KDM4EALDH1A1
SCHEMBL21241611 0.77 FKBP1A (0.49) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL22861528 0.77 FKBP1A (0.49) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL16577350 0.77 NPC1 (0.47) KDM4EKMT2AALDH1A1MEN1TP53
SCHEMBL5732981 0.77 ALDH1A1 (0.52) L3MBTL1KMT2AALDH1A1MEN1ATM

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
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed