SCHEMBL7952332

SCHEMBL7952332

CC=C(c1ccccc1C(=O)O)C1CCc2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
CYP2D6 P10635 2/20 0.40
OPRK1 P41145 2/20 0.40
SIRT1 Q96EB6 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 2/20 0.37
SSTR4 P31391 1/20 0.37
HPGD P15428 3/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7952329 1.00 HSD11B1 (0.43) HSD11B1CYP2D6OPRK1SIRT1HDAC3
SCHEMBL7217406 0.82 HSD11B1 (0.41) HSD11B1CYP2D6OPRK1HDAC3HDAC1
SCHEMBL2286036 0.77 HPGD (0.49) HSD11B1CYP2D6OPRK1HDAC3HDAC1
SCHEMBL229558 0.77 HPGD (0.49) HSD11B1CYP2D6OPRK1HDAC3HDAC1
SCHEMBL230023 0.77 HPGD (0.49) HSD11B1CYP2D6OPRK1HDAC3HDAC1
SCHEMBL29388635 0.77 HPGD (0.49) HSD11B1CYP2D6OPRK1HDAC3HDAC1
SCHEMBL27554734 0.77 HPGD (0.49) HSD11B1CYP2D6OPRK1HDAC3HDAC1
SCHEMBL7948751 0.75 HDAC3 (0.55) HDAC3HDAC1HDAC2ALDH1A1HPGD
SCHEMBL8039734 0.75 HSD11B1 (0.47) HSD11B1CYP2D6OPRK1HDAC3HDAC1
Methane SCHEMBL28850179 0.75 HPGD (0.48) HSD11B1CYP2D6OPRK1HDAC3HDAC1

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