SCHEMBL8007239

SCHEMBL8007239

CCCCCCOC(=O)C=Cc1ccc(OC)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
AKR1B10 O60218 5/20 0.57
AKR1B1 P15121 5/20 0.57
LY96 Q9Y6Y9 1/20 0.55
TNFRSF1A P19438 1/20 0.54
APP P05067 4/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL2226678 1.00 MAPT (0.59) MAPTALDH1A1MEN1KMT2AAKR1B10
SCHEMBL28445241 0.92 HDAC8 (0.55) MAPTALDH1A1MEN1KMT2AAKR1B10
SCHEMBL28445243 0.92 HDAC8 (0.55) MAPTALDH1A1MEN1KMT2AAKR1B10
SCHEMBL5151394 0.89 MAPT (0.58) MAPTALDH1A1MEN1KMT2AAKR1B10
SCHEMBL5151387 0.89 MAPT (0.58) MAPTALDH1A1MEN1KMT2AAKR1B10
SCHEMBL1232746 0.88 APP (0.53) ALDH1A1AKR1B10AKR1B1APPKDM4E
SCHEMBL4531147 0.88 APP (0.53) ALDH1A1AKR1B10AKR1B1APPKDM4E
SCHEMBL29179110 0.87 AKR1B10 (0.61) ALDH1A1AKR1B10AKR1B1APPKDM4E
SCHEMBL8872479 0.85 KDM4E (0.71) MAPTALDH1A1MEN1KMT2AAKR1B10
SCHEMBL4629237 0.85 KDM4E (0.71) MAPTALDH1A1MEN1KMT2AAKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6066311-A ESTERIFICATION OF CHLOROGENIC ACID WITH AN ESTERIFYING ENZYME. CAFFEIC ACID AND ITS DERIVATIVES, PRODUCED BY THIS METHOD, MAY BE USED IN SUNSCREEN COMPOSITIONS, THE CAFFEIC ACID AND ITS DERIVATIVES ABSORBING BOTH UVA AND UVB LIGHT. ZYLEPSIS LIMITED (GB) 2000-05-23 US disclosed
EP-0764147-A1 PRODUCTION AND USES OF CAFFEIC ACID AND DERIVATIVES THEREOF ZYLEPSIS LIMITED (GB) 1997-03-26 EP disclosed
WO-1995033706-A1 PRODUCTION AND USES OF CAFFEIC ACID AND DERIVATIVES THEREOF ZYLEPSIS LIMITED (GB) 1995-12-14 WO disclosed