SCHEMBL11123711

SCHEMBL11123711

CCCCCCCCCCCCCCCCCCOCC1COP(=O)(O)O1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.41
LPAR1 Q92633 3/20 0.39
LPAR3 Q9UBY5 3/20 0.39
ENPP2 Q13822 2/20 0.38
CES2 O00748 1/20 0.37
FGFR1 P11362 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 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
SCHEMBL11120363 1.00 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2TSHRLPAR1
SCHEMBL11120349 1.00 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2TSHRLPAR1
SCHEMBL17482439 1.00 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2TSHRLPAR1
SCHEMBL17482403 0.92 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2ENPP2
SCHEMBL8608996 0.77 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2TSHRFGFR1
SCHEMBL5963616 0.76 ALDH1A1 (0.39) ALDH1A1LPAR1LPAR3ENPP2
Methyl Alcohol SCHEMBL7346314 0.74 ALDH1A1 (0.92) ALDH1A1TDP1SMN1; SMN2TSHRENPP2
SCHEMBL260571 0.73 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL6376906 0.73 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL262010 0.73 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2

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-0034132-B1 METHOD FOR THE MECHANICAL WORKING OF METALS AND LUBRICANT CONCENTRATE BEROL KEMI AB (SE) 1984-11-07 EP disclosed
US-4384965-A Method for the mechanical working of metals and lubricant concentrate BEROL KEMI AB (SE) 1983-05-24 US disclosed
EP-0034132-A2 Method for the mechanical working of metals and lubricant concentrate BEROL KEMI AB (SE) 1981-08-19 EP disclosed