SCHEMBL7439813

SCHEMBL7439813

COc1cccc(CC(O)C2CCCO2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL6989780 0.74 SLC6A2 (0.46) KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL28554357 0.73 ALDH1A1 (0.49) KDM4EHPGDALDH1A1SMN1; SMN2TSHR
SCHEMBL6205368 0.71 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL11099556 0.71 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL28553709 0.70 AGTR1 (0.50) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL5018903 0.69 GABRA1 (0.48) KDM4EHPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9802590 0.68 ABCB1 (0.47) ALDH1A1L3MBTL1
SCHEMBL490857 0.67 ALDH1A1 (0.53) KDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL5925383 0.67 KMT2A (0.44) KDM4EALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL6995954 0.67 L3MBTL1 (0.46) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5621133-A PREPARING A 1-(3,4-DIALKOXYPHENYL),3-HYDROXYALKANE(C6-C12) BY EPOXIDIZING A HALO DERIVATIVE WITH A BASE FOLLOWED BY DECYCLICIZING WITH AN ORGANOMETALLIC COMPOUND IN A SOLVENT; NAPHTHYLENES, ISOCHROMENES AND ISOTHIOCHROMENES DENINNO MICHAEL P (US) 1997-04-15 US disclosed
US-5591884-A PROTECTED HYDROXYALKYLCATECHOL INTERMEDIATES ABBOTT LABORATORIES (US) 1997-01-07 US disclosed
WO-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP disclosed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP disclosed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO disclosed