SCHEMBL10469199

SCHEMBL10469199

CCC/C=C/C(=S)N(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
EHMT2 Q96KQ7 3/20 0.37
EHMT1 Q9H9B1 3/20 0.37
ABCB11 O95342 2/20 0.37
HTT P42858 2/20 0.37
GSDMD P57764 2/20 0.37
CA4 P22748 2/20 0.37
CYP2E1 P05181 1/20 0.37
PTGS1 P23219 1/20 0.37
MGLL Q99685 4/20 0.36
PHGDH O43175 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ALDH2 P05091 2/20 0.36
PLIN1 O60240 1/20 0.36
GMNN O75496 1/20 0.36
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL10469200 1.00 CA12 (0.37) CA12CA1CA2CA9EHMT2
SCHEMBL12677906 0.73 EHMT2 (0.42) CA12CA1CA2CA9EHMT2
SCHEMBL8373881 0.73 NPC1 (0.44) CA12CA1CA9LMNATAS1R3
SCHEMBL8881036 0.73 NPC1 (0.44) CA12CA1CA9LMNATAS1R3
SCHEMBL1583600 0.72
SCHEMBL8038735 0.70 CA12 (0.50) CA12CA1CA2CA9MGLL
SCHEMBL7882834 0.69
SCHEMBL7880933 0.69
SCHEMBL7880936 0.69
SCHEMBL7882832 0.69

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-4963275-A POLYOLEFIN MODIFIED BY AN UNSATURATED ANHYDRIDE, THE REACTION PRODUCT OF A POLYAMINE AND ACRYLIC COMPOUND AND A LACTONE OR POLYLACTONE; OIL ADDITIVES EXXON CHEMICAL PATENTS INC. (US) 1990-10-16 US disclosed