SCHEMBL7949972

SCHEMBL7949972

O=C(O)c1ccccc1NC(=O)C1CCc2ccccc2S1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
ABCC1 P33527 3/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
RBP4 P02753 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MASP2 O00187 1/20 0.40
DHODH Q02127 1/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL8464052 0.77 MAPT (0.44) MAPTGAAKMT2AMEN1PKM
SCHEMBL30988910 0.77 MAPT (0.44) MAPTGAAKMT2AMEN1PKM
SCHEMBL8411297 0.76 ALDH1A1 (0.37) MAPTKMT2APKMKDM4EHSD17B10
SCHEMBL28170369 0.74 ALDH1A1 (0.60) MAPTGAAABCC1KMT2AMEN1
SCHEMBL16404476 0.74 ALDH1A1 (0.60) MAPTGAAABCC1KMT2AMEN1
SCHEMBL7948751 0.73 HDAC3 (0.55) MAPTLMNAKMT2AMEN1TSHR
SCHEMBL7949956 0.73 SMYD3 (0.54) MAPTGAAABCC1LMNAKMT2A
SCHEMBL8818299 0.72 ALDH1A1 (0.43) MAPTGAALMNAPKMALDH1A1
SCHEMBL30522632 0.72 SIGMAR1 (0.40) MAPTGAAPKMTSHRALDH1A1
SCHEMBL11729230 0.71 ALDH1A1 (0.66) GAAABCC1LMNAHCAR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258811-B1 ADMINISTERING RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2001-07-10 US claimed
EP-0930075-A1 METHODS FOR PREVENTING, INHIBITING OR TREATING GRAFT REJECTION REACTIONS IN GRAFT-VERSUS-HOST DISEASE (GVHD) AND ORGAN TRANSPLANTATION Eisai Co., Ltd. (JP) 1999-07-21 EP claimed
US-6258811-B1 ADMINISTERING RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2001-07-10 US disclosed
EP-0930075-A1 METHODS FOR PREVENTING, INHIBITING OR TREATING GRAFT REJECTION REACTIONS IN GRAFT-VERSUS-HOST DISEASE (GVHD) AND ORGAN TRANSPLANTATION Eisai Co., Ltd. (JP) 1999-07-21 EP disclosed