SCHEMBL8025826

SCHEMBL8025826

CCCCC(CC)Cc1cc(OC)ccc1C=CC(=O)O.CCCCCOC(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
HDAC8 Q9BY41 3/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LTB4R Q15722 2/20 0.34
GBA1 P04062 1/20 0.34
ABCG2 Q9UNQ0 1/20 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
SCHEMBL126603 0.86 TDP1 (0.49) TDP1ALDH1A1NPC1MAPTRAB9A
SCHEMBL3209414 0.86 TDP1 (0.49) TDP1ALDH1A1NPC1MAPTRAB9A
SCHEMBL8025820 0.83 PLA2G2D (0.42) PLA2G2DALDH1A1NPC1MAPTRAB9A
SCHEMBL20480721 0.81 PTGER4 (0.43) TDP1PLA2G2DALDH1A1NPC1MAPT
SCHEMBL9775850 0.80 TDP1 (0.59) TDP1SMN1; SMN2PTGER4PTGER3PTGER2
SCHEMBL28812891 0.76 PTGER4 (0.42) TDP1ALDH1A1NPC1MAPTRAB9A
SCHEMBL3878972 0.74 PTGER3 (0.47) TDP1ALDH1A1PTGER4PTGER3PTGER2
SCHEMBL9276412 0.74 PTGER1 (0.47) PLA2G2DALDH1A1NPC1MAPTRAB9A
SCHEMBL9454885 0.73 LMNA (0.37) TDP1PLA2G2DALDH1A1PTGER4PTGER3
Oxamyl SCHEMBL29152631 0.73 ACHE (0.32) TDP1ALDH1A1NPC1MAPTRAB9A

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