SCHEMBL8025820

SCHEMBL8025820

CCCCCC(CC)c1cc(OC)ccc1/C=C/C(=O)O.CCCCCOC(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.42
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC8 Q9BY41 3/20 0.38
LTB4R Q15722 2/20 0.37
GBA1 P04062 1/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
AKR1C3 P42330 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL303215 0.87 PLA2G2D (0.42) PLA2G2DALDH1A1NPC1MAPTRAB9A
SCHEMBL126602 0.87 PLA2G2D (0.42) PLA2G2DALDH1A1NPC1MAPTRAB9A
Coumarinic Acid Methyl Ether SCHEMBL14889493 0.85 GAA (0.50) PLA2G2DALDH1A1NPC1MAPTRAB9A
SCHEMBL8025826 0.83 TDP1 (0.39) PLA2G2DALDH1A1NPC1MAPTRAB9A
SCHEMBL20480680 0.82 CYSLTR2 (0.43) PLA2G2DALDH1A1NPC1MAPTRAB9A
SCHEMBL9775847 0.81 ALDH1A1 (0.48) PLA2G2DALDH1A1NPC1MAPTRAB9A
SCHEMBL7122374 0.78 KDM4E (0.40) PLA2G2DALDH1A1MAPTSMN1; SMN2HDAC8
SCHEMBL8916962 0.77 ALDH1A1 (0.39) PLA2G2DALDH1A1NPC1MAPTRAB9A
SCHEMBL23904132 0.76 HDAC8 (0.43) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8523379 0.76 THRB (0.43) PLA2G2DALDH1A1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000069409-A1 METHODS FOR UPREGULATING AND/OR MODULATING KGF PRODUCTION AND INCREASING RECEPTIVITY OF KERATINOCYTES TO KGF THE PROCTER & GAMBLE COMPANY (US) 2000-11-23 WO disclosed