SCHEMBL10334162

SCHEMBL10334162

CCCCCCCCCCOc1ccc(CCC(=O)OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
S1PR4 O95977 2/20 0.56
S1PR1 P21453 2/20 0.56
S1PR3 Q99500 2/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PLA2G4B P0C869 3/20 0.55
S1PR5 Q9H228 1/20 0.54
PLA2G4A P47712 1/20 0.54
P2RY10 O00398 1/20 0.53
NR5A1 Q13285 1/20 0.53
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
PDE4A P27815 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC6 Q9UBN7 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
SCHEMBL6539026 1.00 LMNA (0.57) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL25172916 1.00 LMNA (0.57) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL22439030 1.00 LMNA (0.57) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL17349905 1.00 LMNA (0.57) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL7528179 0.95 LMNA (0.62) LMNAL3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL7340690 0.94 RARB (0.56) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL1667448 0.93 PLA2G4A (0.56) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL25456590 0.93 PLA2G4A (0.56) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL25176144 0.90 PLA2G4A (0.53) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL7626988 0.88 PLA2G4B (0.56) LMNAL3MBTL1S1PR4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4942174-A ALKOXYARYLCARBOXYLIC ACIDS OR ESTERS OR SALTS FOR SKIN DISORDERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-07-17 US disclosed
EP-0315914-A2 Sebosuppressive topic preparations Henkel Kommanditgesellschaft auf Aktien (DE) 1989-05-17 EP disclosed