SCHEMBL4457866

SCHEMBL4457866

O=C(CS)OCCCCCCCCCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.56
FFAR1 O14842 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NAAA Q02083 2/20 0.51
PLA2G4B P0C869 1/20 0.50
NPC1 O15118 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
S1PR1 P21453 1/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48

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
SCHEMBL24373015 0.87 FFAR1 (0.45) TDP1LMNAFFAR1SMN1; SMN2ALDH1A1
SCHEMBL28721829 0.86 TDP1 (0.63) TDP1LMNAFFAR1SMN1; SMN2ALDH1A1
SCHEMBL24372557 0.85 MGLL (0.44) TDP1LMNAFFAR1PLA2G4B
SCHEMBL9491435 0.85 TDP1 (0.79) TDP1LMNAFFAR1SMN1; SMN2ALDH1A1
SCHEMBL7781081 0.85 TDP1 (0.68) TDP1LMNAFFAR1SMN1; SMN2ALDH1A1
SCHEMBL1788500 0.85 TDP1 (0.68) TDP1LMNAFFAR1SMN1; SMN2ALDH1A1
SCHEMBL24372734 0.84 LMNA (0.53) TDP1LMNAFFAR1SMN1; SMN2ALDH1A1
SCHEMBL24372731 0.84 MGLL (0.46) FFAR1
SCHEMBL6989966 0.83 HTT (0.56) TDP1LMNAFFAR1SMN1; SMN2ALDH1A1
SCHEMBL8897889 0.83 TDP1 (0.56) TDP1LMNAFFAR1SMN1; SMN2ALDH1A1

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
EP-1423749-B1 LIQUID CRYSTAL SWITCHING MECHANISM WISCONSIN ALUMNI RES FOUND (US) 2009-08-05 EP disclosed