SCHEMBL8876120

SCHEMBL8876120

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3ccc4c(c3)oc3cc(CO)ccc34)CS[C@H]12)c1ccco1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.60
▸ NR1I2 O75469 5/20 0.60
▸ HSD17B10 Q99714 4/20 0.60
▸ PGR P06401 3/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ MAPT P10636 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ PKM P14618 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ KMT2A Q03164 1/20 0.52
▸ ABCC4 O15439 2/20 0.50
▸ PDE4A P27815 1/20 0.50
▸ HTR2C P28335 1/20 0.42
▸ SPOP O43791 2/20 0.41
▸ PPARG P37231 2/20 0.41
▸ SLC22A6 Q4U2R8 2/20 0.41
▸ SLC22A8 Q8TCC7 2/20 0.41
▸ SLC22A11 Q9NSA0 2/20 0.41

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
SCHEMBL8674906 1.00 TDP1 (0.60) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL8874646 0.91 TDP1 (0.58) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL8874653 0.91 TDP1 (0.58) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL8877643 0.91 TDP1 (0.57) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL8671729 0.91 TDP1 (0.57) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL8672307 0.89 NR1I2 (0.60) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL8868445 0.89 NR1I2 (0.60) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL8673740 0.84 MAPK1 (0.43) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL8870510 0.84 MAPK1 (0.43) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL8674886 0.83 MAPK1 (0.54) TDP1NR1I2HSD17B10ALDH1A1MAPT

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
US-5607926-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-03-04 — — US disclosed
US-5604218-A EXHIBITS ACTIVITY AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-02-18 — — US disclosed
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