SCHEMBL10926752

SCHEMBL10926752

O=C(CS)N(CCO)CCO

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 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
SCHEMBL7121249 0.85 ALDH1A1 (0.43) POLBCA12CA1CA2CA9
SCHEMBL9459638 0.85 CA12 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL1232870 0.77 ALDH1A1 (0.41) POLBCA12CA1CA2CA9
SCHEMBL1387475 0.77 POLB (0.39) POLBCA12CA1CA2CA9
SCHEMBL10990860 0.77 POLB (0.39) POLBCA12CA1CA2CA9
SCHEMBL1387465 0.76 ALDH1A1 (0.37) POLBCA12CA1CA2CA9
SCHEMBL9647345 0.75 LMNA (0.39) POLBCA12CA1CA2CA9
SCHEMBL1387473 0.74 POLB (0.38) POLBCA12CA1CA2CA9
SCHEMBL1387466 0.74 ALDH1A1 (0.39) POLBCA12CA1CA2CA9
SCHEMBL3108822 0.72 POLB (0.37) POLBCA12CA1CA2CA9

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-0128019-B1 MULTIFUNCTIONAL ADDITIVES FOR FUNCTIONAL FLUIDS AND LUBRICANTS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-10-29 EP disclosed
EP-0128019-A2 Multifunctional additives for functional fluids and lubricants EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-12-12 EP disclosed
US-4474674-A THIOAMIDES EXXON RESEARCH & ENGINEERING CO. (US) 1984-10-02 US disclosed