SCHEMBL7949945

SCHEMBL7949945

CC=C(c1ccccc1C(=O)O)C1CCc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MTNR1A P48039 3/20 0.41
HTR1A P08908 4/20 0.40
HTR2A P28223 4/20 0.40
DRD3 P35462 4/20 0.40
F2 P00734 2/20 0.37
MASP2 O00187 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
HTR2C P28335 2/20 0.36
DRD2 P14416 1/20 0.36
CPB1 P15086 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33

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
SCHEMBL7949940 1.00 SMYD3 (0.46) SMYD3GAAMAPTMTNR1AHTR1A
SCHEMBL1531662 0.77 GAA (0.69) SMYD3GAAMAPTMTNR1AHTR1A
SCHEMBL444953 0.77 GAA (0.69) SMYD3GAAMAPTMTNR1AHTR1A
SCHEMBL1150614 0.77 GAA (0.69) SMYD3GAAMAPTMTNR1AHTR1A
SCHEMBL29831598 0.77 GAA (0.69) SMYD3GAAMAPTMTNR1AHTR1A
SCHEMBL7949956 0.75 SMYD3 (0.54) SMYD3GAAMAPTMTNR1AHTR1A
Hydrochloric Acid SCHEMBL11050093 0.75 GAA (0.67) SMYD3GAAMAPTMTNR1AHTR1A
Hydrochloric Acid SCHEMBL11047643 0.75 GAA (0.67) SMYD3GAAMAPTMTNR1AHTR1A
Hydrochloric Acid SCHEMBL3157936 0.75 GAA (0.67) SMYD3GAAMAPTMTNR1AHTR1A
SCHEMBL30357987 0.75 SMYD3 (0.56) SMYD3GAAMAPTMTNR1AHTR1A

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