SCHEMBL6935557

SCHEMBL6935557

CCC(O)c1cccc(C2OC=CO2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
HIF1A Q16665 4/20 0.36
GALR3 O60755 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRB3 P13945 1/20 0.35
TSHR P16473 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
NFKB1 P19838 1/20 0.35
DRD1 P21728 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD3 P35462 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GRIN2B Q13224 2/20 0.34

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
SCHEMBL7656380 0.81 KMT2A (0.40) LMNAADRB1TSHRADRA1AKDM4E
SCHEMBL11595350 0.76 LMNA (0.70) LMNAHIF1AGALR3ADRB2ADRB1
SCHEMBL7071503 0.74 EPHX1 (0.31)
SCHEMBL3928172 0.70 LMNA (0.59) LMNAHIF1AGALR3ADRB2ADRB1
SCHEMBL6055104 0.70 LMNA (0.59) LMNAHIF1AGALR3ADRB2ADRB1
SCHEMBL875416 0.70 LMNA (0.59) LMNAHIF1AGALR3ADRB2ADRB1
SCHEMBL12610310 0.70 LMNA (0.66) LMNAHIF1AGALR3ADRB2ADRB1
SCHEMBL12927521 0.70 LMNA (0.59) LMNAHIF1AGALR3ADRB2ADRB1
SCHEMBL5466349 0.70 LMNA (0.59) LMNAHIF1AGALR3ADRB2ADRB1
SCHEMBL31094667 0.70 LMNA (0.66) LMNAHIF1AGALR3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140894-B1 PROCESS FOR THE SYNTHESIS OF 5-(ALPHA -HYDROXYALKYL) BENZO 1, 3]DIOXOLS ENDURA SPA (IT) 2003-12-17 EP claimed
US-6342613-B1 REACTING PYROCATECHOL WITH DIHALO- OR DI-ALKOXYALKANE, ACYLATING BENZO(1,3)DIOXOLE DERIVATIVE FORMED IN PRESENCE OF CATALYST, REDUCING TO 5-(ALPHA-HYDROXYALKYL)BENZO(1,3)DIOXOLE ENDURA S.P.A. (IT) 2002-01-29 US claimed
EP-1140894-A1 PROCESS FOR THE SYNTHESIS OF 5-(ALPHA -HYDROXYALKYL) BENZO 1, 3]DIOXOLS ENDURA S.p.A. (IT) 2001-10-10 EP claimed
WO-2000040575-A1 PROCESS FOR THE SYNTHESIS OF 5-(α -HYDROXYALKYL) BENZO[1, 3]DIOXOLS ENDURA S.P.A. (IT) 2000-07-13 WO claimed
EP-1140894-B1 PROCESS FOR THE SYNTHESIS OF 5-(ALPHA -HYDROXYALKYL) BENZO 1, 3]DIOXOLS ENDURA SPA (IT) 2003-12-17 EP disclosed
US-6342613-B1 REACTING PYROCATECHOL WITH DIHALO- OR DI-ALKOXYALKANE, ACYLATING BENZO(1,3)DIOXOLE DERIVATIVE FORMED IN PRESENCE OF CATALYST, REDUCING TO 5-(ALPHA-HYDROXYALKYL)BENZO(1,3)DIOXOLE ENDURA S.P.A. (IT) 2002-01-29 US disclosed
EP-1140894-A1 PROCESS FOR THE SYNTHESIS OF 5-(ALPHA -HYDROXYALKYL) BENZO 1, 3]DIOXOLS ENDURA S.p.A. (IT) 2001-10-10 EP disclosed
WO-2000040575-A1 PROCESS FOR THE SYNTHESIS OF 5-(α -HYDROXYALKYL) BENZO[1, 3]DIOXOLS ENDURA S.P.A. (IT) 2000-07-13 WO disclosed