SCHEMBL26439425

SCHEMBL26439425

CCCO[C@@H](CCO)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G1B P04054 1/20 0.42
PLA2G5 P39877 1/20 0.42
DUT P33316 1/20 0.42
KIF11 P52732 1/20 0.39
TK1 P04183 2/20 0.37
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A1 P30531 1/20 0.32
MLNR O43193 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL4186770 0.93 DUT (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5DUT
SCHEMBL4186763 0.93 DUT (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5DUT
SCHEMBL13377619 0.83 DUT (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5DUT
SCHEMBL5699551 0.82 DUT (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5DUT
SCHEMBL4763266 0.82 DUT (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5DUT
SCHEMBL4192567 0.81 DUT (0.39) PLA2G2APLA2G10PLA2G1BPLA2G5DUT
SCHEMBL4192561 0.81 DUT (0.39) PLA2G2APLA2G10PLA2G1BPLA2G5DUT
SCHEMBL8195323 0.81 PLA2G2A (0.53) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL8356181 0.81 PLA2G2A (0.53) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL8353837 0.81 PLA2G2A (0.53) PLA2G2APLA2G10PLA2G1BPLA2G5

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
WO-2023192984-A1 N-DESMETHYL RUBOXISTAURIN AS KINASE INHIBITOR 4M THERAPEUTICS INC. (US) 2023-10-05 WO disclosed