SCHEMBL28397976

SCHEMBL28397976

CCCC(O)(Cl)C(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
RIPK1 Q13546 1/20 0.42
AOC3 Q16853 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A4 P31645 1/20 0.37
HSD17B10 Q99714 2/20 0.37
KCNQ2 O43526 1/20 0.36
ALOX12 P18054 2/20 0.36
CYP2C19 P33261 2/20 0.36
CHRM2 P08172 1/20 0.36
ADRA1A P35348 1/20 0.36
RGS12 O14924 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 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
SCHEMBL5164111 0.77 RIPK1 (0.48) LMNARIPK1AOC3SLC6A4CYP3A4
Alcohol SCHEMBL10526338 0.75 LMNA (0.48) LMNARIPK1AOC3MEN1KMT2A
SCHEMBL30387499 0.73 AOC3 (0.45) LMNAAOC3MEN1KMT2ASLC6A4
SCHEMBL27968373 0.71 AOC3 (0.48) LMNARIPK1AOC3SLC6A4CYP3A4
SCHEMBL414520 0.71 LMNA (0.43) LMNARIPK1AOC3MEN1KMT2A
SCHEMBL23172374 0.71 AOC3 (0.47) LMNAAOC3MEN1KMT2ASLC6A4
SCHEMBL7434679 0.71 AOC3 (0.47) LMNAAOC3MEN1KMT2ASLC6A4
SCHEMBL4372186 0.71 AOC3 (0.47) LMNAAOC3MEN1KMT2ASLC6A4
SCHEMBL5555081 0.69 RIPK1 (0.58) LMNARIPK1AOC3NPC1
SCHEMBL11929876 0.69 LMNA (0.42) LMNARIPK1AOC3MEN1KMT2A

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
CN-111094243-A Compounds and compositions for treating conditions associated with NLRP activity 诺华炎症研究公司 2020-05-01 CN disclosed