SCHEMBL8007236

SCHEMBL8007236

CCCCCCOC(=O)C(OC)=C(OC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
NAAA Q02083 1/20 0.49
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CNR2 P34972 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPARG P37231 3/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43

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
SCHEMBL2226674 1.00 LMNA (0.50) LMNAALDH1A1TSHRNAAATP53
SCHEMBL28638750 0.86 TSHR (0.50) LMNAALDH1A1TSHRNAAATP53
SCHEMBL541541 0.85 LMNA (0.49) LMNAALDH1A1TSHRNAAATP53
SCHEMBL16878989 0.83 TSHR (0.50) LMNAALDH1A1TSHRNAAATP53
SCHEMBL4592985 0.82 SMN1; SMN2 (0.54) LMNAALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL29069533 0.82 ALDH1A1 (0.52) LMNAALDH1A1TSHRTP53CYP3A4
SCHEMBL8011009 0.80 HCAR2 (0.48) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL6025145 0.79 TSHR (0.58) LMNAALDH1A1TSHRTP53CYP3A4
SCHEMBL2564553 0.79 TSHR (0.58) LMNAALDH1A1TSHRTP53CYP3A4
SCHEMBL14993129 0.79 TSHR (0.58) LMNAALDH1A1TSHRTP53CYP3A4

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