SCHEMBL30440657

SCHEMBL30440657

c1ccc(Oc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.66
LMNA P02545 2/20 0.64
POLB P06746 1/20 0.58
KMT2A Q03164 5/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
PLK4 O00444 1/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 4/20 0.53
HTT P42858 3/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
RAB9A P51151 1/20 0.53
TNK2 Q07912 1/20 0.52
BTK Q06187 1/20 0.52
KDM4E B2RXH2 4/20 0.51
HPGD P15428 2/20 0.51
NTRK1 P04629 1/20 0.51

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
SCHEMBL14982100 0.87 MEN1 (0.58) LTA4HLMNAKMT2ASMN1; SMN2TSHR
SCHEMBL12757135 0.84 ALDH1A1 (0.62) LMNAPOLBKMT2ASMN1; SMN2TSHR
SCHEMBL2784743 0.84 LTA4H (0.70) LTA4HLMNAPOLBKMT2ASMN1; SMN2
SCHEMBL21295393 0.84 MAPT (0.64) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL18415522 0.83 AKR1C3 (0.62) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL2883585 0.83 LTA4H (0.67) LTA4HLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL15867084 0.83 MAPK1 (0.57) LMNAKMT2ASMN1; SMN2PKMALDH1A1
SCHEMBL21295546 0.83 NTRK1 (0.72) LTA4HLMNAKMT2ASMN1; SMN2TSHR
SCHEMBL24177916 0.82 LTA4H (0.68) LTA4HLMNAPOLBKMT2ASMN1; SMN2
SCHEMBL14983930 0.82 PSMD14 (0.52) LTA4HLMNAPOLBKMT2ASMN1; SMN2

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
CN-115850208-B Method for synthesizing S-aryl dithio carbamate compound by visible light induction 常熟理工学院 2024-09-13 CN disclosed
CN-115850208-A Method for synthesizing S-aryl dithiocarbamate compound under induction of visible light 常熟理工学院 2023-03-28 CN disclosed