SCHEMBL10695817

SCHEMBL10695817

O=C(O)CCCCCCCCCCCCCCCCCc1c(O)cccc1C(=O)[O-].O=C(O)CCCCCCCCCCCCCCCCCc1c(O)cccc1C(=O)[O-].O=C(O)CCCCCCCCCCCCCCCCCc1c(O)cccc1C(=O)[O-].[Al+3]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ACHE P22303 2/20 0.42
SGMS1 Q86VZ5 2/20 0.42
SGMS2 Q8NHU3 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TBXAS1 P24557 7/20 0.39
F13A1 P00488 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39

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
SCHEMBL4587439 0.85 LTB4R (0.46) MAPTRXFP1TBXAS1F13A1
SCHEMBL9785241 0.85 LTB4R (0.46) MAPTRXFP1TBXAS1F13A1
SCHEMBL29985739 0.84 MAPT (0.58) MAPTRXFP1ACHESGMS1SGMS2
SCHEMBL6677467 0.80 SMN1; SMN2 (0.47) MAPTRXFP1KDM4EALDH1A1HPGD
SCHEMBL31086218 0.78 F13A1 (0.51) MAPTRXFP1ACHESGMS1SGMS2
SCHEMBL31169746 0.78 F13A1 (0.51) MAPTRXFP1ACHESGMS1SGMS2
SCHEMBL8878836 0.77 ALDH1A1 (0.50) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL11099396 0.77 MAPT (0.54) MAPTRXFP1TBXAS1F13A1HDAC3
Hexanoate SCHEMBL28988126 0.77 ALDH1A1 (0.57) MAPTALDH1A1HDAC11
SCHEMBL31169744 0.76 F13A1 (0.49) MAPTRXFP1ACHESGMS1SGMS2

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-4764293-A Lubricant compositions WITCO CORPORATION (US) 1988-08-16 US disclosed
US-4675121-A EXTREME-PRESSURE-TEMPERATURE AND SPEED LUBRICANTS CONTAINING PARTICLES OF A CALCIUM PHOSPHATE WITCO CORPORATION (US) 1987-06-23 US disclosed
US-4305831-A GREASE USABLE UNDER EXTREME PRESSURE SOUTHWEST PETRO-CHEM, INC. (US) 1981-12-15 US disclosed