SCHEMBL9844172

SCHEMBL9844172

O=C(OCCCC1CO1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
LMNA P02545 1/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
BCHE P06276 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6662971 0.94 TDP1 (0.65) TDP1LMNAKMT2AMEN1SCN1A
SCHEMBL26324134 0.88 TDP1 (0.60) TDP1LMNAKMT2AMEN1SCN1A
SCHEMBL28035865 0.86 TDP1 (0.58) TDP1LMNAMAPK1ALDH1A1
SCHEMBL27898323 0.84 TDP1 (0.58) TDP1LMNAKMT2AMEN1SCN1A
SCHEMBL19056808 0.83 TDP1 (0.49) TDP1LMNAMAPK1ALDH1A1
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL133986 0.80 NPC1 (0.56) TDP1MAPK1HIF1A
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL5604855 0.80 NPC1 (0.56) TDP1MAPK1HIF1A
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL21245419 0.80 NPC1 (0.56) TDP1MAPK1HIF1A
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL14570069 0.80 NPC1 (0.56) TDP1MAPK1HIF1A
SCHEMBL8408836 0.80 TSHR (0.58) TDP1LMNAKMT2AMEN1MAPK1

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
EP-0443197-A2 Oxazolidinones MERCK PATENT GmbH (DE) 1991-08-28 EP disclosed
US-4259236-A COLORFAST RED SHADES ON POLYESTERS CIBA-GEIGY CORPORATION (US) 1981-03-31 US disclosed