SCHEMBL10690952

SCHEMBL10690952

O=C(OCCSCc1cc(CSCCOC(=O)C2CCCCC2)c(O)c(CSCCOC(=O)C2CCCCC2)c1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 3/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 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
SCHEMBL10705326 0.89 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1NPC1CYP3A4
SCHEMBL10692792 0.76 TNKS2 (0.38) ALDH1A1CYP3A4CYP2C9POLBHPGD
SCHEMBL10691474 0.71 TDP1 (0.47) ALDH1A1L3MBTL1NPC1KMT2A
SCHEMBL205737 0.68 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL8845363 0.68 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL14959157 0.68 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL10692300 0.67 CYP2C19 (0.58) ALDH1A1MAPTCYP2C9CYP2C19HPGD
SCHEMBL10688054 0.65 CYP1A2 (0.58) CYP2C9KDM4E
SCHEMBL13291850 0.65 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL813168 0.65 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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
US-4741846-A STABILIZERS FOR POLYMERS OR LUBRICANTS CIBA-GEIGY CORPORATION (US) 1988-05-03 US disclosed