SCHEMBL9778658

SCHEMBL9778658

c1ccc(OCCOc2cccc(C3SCCCS3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 1/20 0.42
KCNA3 P22001 1/20 0.40
GSK3B P49841 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
LTA4H P09960 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BACE1 P56817 1/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37

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
SCHEMBL9778718 0.94 MAOB (0.46) MAOBMAOAPPARGPPARDPPARA
SCHEMBL9778797 0.86 MAOB (0.47) MAOBMAOAKCNA3TAAR1LTA4H
SCHEMBL9778556 0.85 KDM1A (0.49) MAOBMAOA
SCHEMBL16597328 0.83 TP53 (0.45) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL9778537 0.80 L3MBTL1 (0.47) MAOBPPARDGSK3BMAPK1SMN1; SMN2
SCHEMBL9778896 0.80 LMNA (0.47) MAOBPPARGPPARDTAAR1MAPK1
SCHEMBL9778892 0.80 NPC1 (0.46) MAOBMAOAPPARGPPARDPPARA
SCHEMBL9778891 0.80 NPC1 (0.46) MAOBMAOAPPARGPPARDPPARA
SCHEMBL9778698 0.79 ALDH1A1 (0.51) MAOBMAOAKCNA3TAAR1LTA4H
SCHEMBL4785764 0.78 TSHR (0.49) NPC1MEN1KMT2AKDM4E

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