SCHEMBL8544356

SCHEMBL8544356

COc1cccc(C(=O)CCl)c1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.47
SLC6A12 P48065 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL8544960 0.84 PDE4D (0.58) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5617204 0.84 HPGD (0.54) HPGDKMT2APOLBRAB9ANPC1
SCHEMBL3661643 0.84 HPGD (0.54) HPGDKMT2APOLBRAB9ANPC1
SCHEMBL22133207 0.84 HPGD (0.51) HPGDKMT2APOLBRAB9ANPC1
SCHEMBL6488893 0.84 NPC1 (0.62) HPGDKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL1850967 0.83 HPGDS (0.55) HPGDKMT2APOLBRAB9ANPC1
Hydrochloric Acid SCHEMBL27759786 0.83 HPGD (0.52) HPGDKMT2APOLBRAB9ANPC1
SCHEMBL6223780 0.81 HPGD (0.51) HPGDKMT2APOLBRAB9ANPC1
SCHEMBL28924750 0.81 NPC1 (0.56) HPGDKMT2APOLBRAB9ANPC1
Hydrochloric Acid SCHEMBL4670042 0.81 RAB9A (0.52) HPGDKMT2APOLBRAB9ANPC1

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 3 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 disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed