SCHEMBL3129282

SCHEMBL3129282

CC(O)Cc1cc2cccc(C(=O)O)c2c(C(=O)O)c1CC(C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
DHODH Q02127 1/20 0.35
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
CDC25B P30305 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PTPN1 P18031 1/20 0.33
FOLH1 Q04609 1/20 0.33
MAPT P10636 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PTGER4 P35408 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL7768653 0.87 DHODH (0.40) HSD17B10ME2ME1ME3DHODH
SCHEMBL3129286 0.80 KMT2A (0.51) HSD17B10ME2ME1ME3DHODH
SCHEMBL1079659 0.79 HSD17B10 (0.45) HSD17B10ME2ME1ME3DHODH
SCHEMBL29195550 0.75 MAPT (0.41) HSD17B10FOLH1MAPTHDAC8PTGER4
SCHEMBL17961587 0.75 FOLH1 (0.43) HSD17B10MEN1KMT2AFOLH1MAPT
SCHEMBL27736164 0.75 MAPT (0.47) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL6904305 0.74 ALDH1A1 (0.34) HSD17B10DHODHMEN1KMT2AMAPT
SCHEMBL2815958 0.74 HSD17B10 (0.42) HSD17B10ME2ME1ME3NR4A1
SCHEMBL9682139 0.74 BID (0.44) HSD17B10MAPT
Trimethylammonium SCHEMBL28124204 0.73 FOLH1 (0.41) HSD17B10MEN1KMT2AFOLH1MAPT

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
EP-1801159-B1 A polytrimethylene naphthalate and method of making the same FUTURA POLYESTERS LTD (IN) 2010-07-21 EP disclosed
US-20070149756-A1 Compositions and methods of manufacturing polytrimethylene naphthalate FUTURA POLYESTERS LIMITED 2007-06-28 US disclosed
EP-1801159-A1 A polytrimethylene naphthalate and method of making the same Futura Polyesters Limited (IN) 2007-06-27 EP disclosed