SCHEMBL8613432

SCHEMBL8613432

C/C=C/C=C/C(=O)Oc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
PTPN7 P35236 1/20 0.42
MMP1 P03956 2/20 0.42
MMP12 P39900 1/20 0.42
KDM4E B2RXH2 1/20 0.42
FABP7 O15540 1/20 0.41
FABP3 P05413 1/20 0.41
BCHE P06276 1/20 0.41
FAAH O00519 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL8613434 1.00 KMT2A (0.50) KMT2AMEN1MAPTTDP1L3MBTL1
SCHEMBL14989046 0.88 KMT2A (0.54) KMT2AMEN1MAPTTDP1L3MBTL1
SCHEMBL14989047 0.88 KMT2A (0.54) KMT2AMEN1MAPTTDP1L3MBTL1
SCHEMBL17138213 0.83 KMT2A (0.47) KMT2AMEN1L3MBTL1KDM4EBCHE
SCHEMBL17138211 0.83 KMT2A (0.47) KMT2AMEN1L3MBTL1KDM4EBCHE
SCHEMBL4364436 0.81 MAOB (0.48) KMT2AMEN1MAPTTDP1L3MBTL1
SCHEMBL27149 0.81 MAOB (0.48) KMT2AMEN1MAPTTDP1L3MBTL1
SCHEMBL8610203 0.81 HTR1A (0.37) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL20577752 0.81 CA2 (0.51) KMT2AMEN1MAPTTDP1L3MBTL1
SCHEMBL19333554 0.80 KMT2A (0.53) KMT2AMEN1MAPTTDP1L3MBTL1

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-5770382-A RETINOIC ACID AND RETINOID X RECEPTOR AGONISTS; TREATINGSKIN, EYE, BRAIN, AND CARDIOVASCULAR DISORDERS; CANCER LIGAND PHARMACEUTICALS, INC. (US) 1998-06-23 US claimed
US-5770382-A RETINOIC ACID AND RETINOID X RECEPTOR AGONISTS; TREATINGSKIN, EYE, BRAIN, AND CARDIOVASCULAR DISORDERS; CANCER LIGAND PHARMACEUTICALS, INC. (US) 1998-06-23 US disclosed
US-5770378-A A VITAMINE A METABOLITE, POTENT DRUGS TREATING SKIN DISEASES, CANCER, EYE DISEASES, CARDIOVASCULAR DISORDERS LIGAND PHARMACEUTICALS, INC. (US) 1998-06-23 US disclosed
US-5770383-A ACTIVATE RETINOID RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1998-06-23 US disclosed