SCHEMBL9778680

SCHEMBL9778680

Clc1ccccc1COc1ccc(COc2ccc(C3SCCCS3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.51
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
NR4A2 P43354 1/20 0.46
OPRD1 P41143 1/20 0.45
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
MAOA P21397 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.42
ADAM17 P78536 1/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL9778795 0.95 NR4A2 (0.50) MAOBMAPTTP53GAANR4A2
SCHEMBL9778730 0.89 NR4A2 (0.52) MAOBMAPTTP53GAANR4A2
SCHEMBL9778479 0.86 MAOB (0.56) MAOBMAPTGAAMAOACYP1A2
SCHEMBL9778594 0.85 MAOB (0.51) MAOBMAPTNR4A2MAOARAB9A
SCHEMBL7571981 0.85 MAOB (0.57) MAOBMAPTTP53GAANR4A2
SCHEMBL9778526 0.81 SMN1; SMN2 (0.49) MAOBMAPTOPRD1LMNAMEN1
SCHEMBL9778648 0.81 MAOB (0.57) MAOBSPHK2SPHK1MAOAS1PR5
SCHEMBL9778819 0.80 MAPT (0.51) MAOBMAPTOPRD1MAOALMNA
SCHEMBL9778533 0.80 APP (0.51) MAOBMAPTLMNARAB9AHTT
SCHEMBL9778518 0.80 RXRA (0.47) MAOBMAPTLMNAKMT2ARAB9A

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-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed