SCHEMBL19199728

SCHEMBL19199728

CC(C)(C=O)Cn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.47
GGPS1 O95749 3/20 0.46
BTN3A1 O00481 1/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
TBXAS1 P24557 8/20 0.42
ALDH1A1 P00352 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4682917 0.78 FDPS (0.52) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL11278011 0.78 TBXAS1 (0.64) TBXAS1MEN1POLBKMT2A
SCHEMBL2697302 0.77 CYP11B1 (0.50) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL11225681 0.77 FDPS (0.44) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL27461167 0.76 TBXAS1 (0.67) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL4241305 0.74 FDPS (0.56) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL3690697 0.73 TBXAS1 (0.64) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL4968502 0.73 FDPS (0.51) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL13105208 0.72 CYP11B1 (0.53) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL9368910 0.71 CYP11B1 (0.44) FDPSGGPS1BTN3A1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3408016-B1 POLYMERIC DISPERSANTS CONTAINING MULTI-AMINE GROUPS WITH IMPROVED CHEMICAL AND THERMAL STABILITY LUBRIZOL ADVANCED MAT INC (US) 2023-11-22 EP disclosed
WO-2017132380-A1 POLYMERIC DISPERSANTS CONTAINING MULTI-AMINE GROUPS WITH IMPROVED CHEMICAL AND THERMAL STABILITY LUBRIZOL ADVANCED MATERIALS, INC. (US) 2017-08-03 WO disclosed