SCHEMBL8936721

SCHEMBL8936721

COC(=O)SC(CC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.41
ALDH1A1 P00352 3/20 0.37
POLB P06746 3/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
APOBEC3G Q9HC16 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
TSHR P16473 1/20 0.30
FOLH1 Q04609 1/20 0.30
BHMT Q93088 1/20 0.30

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
SCHEMBL30659511 0.79 ALDH1A1 (0.35) CPB1ALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL233153 0.76 TDP1 (0.40) CPB1ALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL233154 0.76 TDP1 (0.40) CPB1ALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL20872375 0.75 TDP1 (0.43) CPB1ALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL10724840 0.74 CPB1 (0.39) CPB1ALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL17874 0.70 TDP1 (0.43) CPB1ALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL8948260 0.70 TDP1 (0.50) CPB1ALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL3108145 0.69 ALDH1A1 (0.50) CPB1ALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL7887219 0.69 MGAM (0.38) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL7887217 0.69 MGAM (0.38) ALDH1A1TDP1MEN1KMT2ATSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512189-A THE REACTION PRODUCT OF AN ORGANOPHOPHOSPHORODITHIONATE AND A SULFUR-CONTAINING CARBOXYLIC ACID; FOR LUBRICANTS MOBIL OIL CORPORATION (US) 1996-04-30 US claimed
US-5503758-A REACTION PRODUCT OF A THIODICARBOXYLIC ACID, AN ETHERAMINE AND/OR AN ALKYLAMINE, ALCOHOL AND PHOSPHITE; POLYETHERS; EXTREME PRESSURE, TEMPERATURE LUBRICANT ADDITIVES MOBILE OIL CORPORATION (US) 1996-04-02 US claimed
US-5574184-A REACTION PRODUCT OF SULFUR-CONTAINING CARBOXYLIC ACIDS AND ETHERAMINES, CHEMICAL INTERMEDIATES MOBIL OIL CORPORATION (US) 1996-11-12 US disclosed
US-5512189-A THE REACTION PRODUCT OF AN ORGANOPHOPHOSPHORODITHIONATE AND A SULFUR-CONTAINING CARBOXYLIC ACID; FOR LUBRICANTS MOBIL OIL CORPORATION (US) 1996-04-30 US disclosed
US-5503758-A REACTION PRODUCT OF A THIODICARBOXYLIC ACID, AN ETHERAMINE AND/OR AN ALKYLAMINE, ALCOHOL AND PHOSPHITE; POLYETHERS; EXTREME PRESSURE, TEMPERATURE LUBRICANT ADDITIVES MOBILE OIL CORPORATION (US) 1996-04-02 US disclosed