SCHEMBL10691474

SCHEMBL10691474

O=C(OCCSCc1cc(CSCCOC(=O)c2ccccc2)c(O)c(CSCCOC(=O)c2ccccc2)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
TYR P14679 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL10705326 0.87 ALDH1A1 (0.40) TDP1LMNAL3MBTL1ESR1ESR2
SCHEMBL10702308 0.83 ALDH1A1 (0.45) TDP1LMNAL3MBTL1KMT2AMAPK1
SCHEMBL10692792 0.79 TNKS2 (0.38) TSHRSMN1; SMN2ALDH1A1
SCHEMBL2748816 0.73 TDP1 (0.59) TDP1LMNAL3MBTL1ESR1ESR2
SCHEMBL9776616 0.73 TDP1 (0.59) TDP1LMNAL3MBTL1ESR1ESR2
SCHEMBL6655944 0.72 EGFR (0.46) LMNANPC1RAB9AALDH1A1
SCHEMBL2748895 0.72 TDP1 (0.58) TDP1LMNAL3MBTL1ESR1ESR2
SCHEMBL10692300 0.71 CYP2C19 (0.58) TDP1LMNAKMT2AMAPK1TSHR
SCHEMBL10690952 0.71 ALDH1A1 (0.37) L3MBTL1KMT2ANPC1ALDH1A1
SCHEMBL137486 0.70 TDP1 (0.83) TDP1LMNAL3MBTL1ESR1ESR2

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-4741846-A STABILIZERS FOR POLYMERS OR LUBRICANTS CIBA-GEIGY CORPORATION (US) 1988-05-03 US disclosed