SCHEMBL11052272

SCHEMBL11052272

C=C(Cl)COC(=O)C1=C(CSc2nnnn2C)CS[C@@H]2C(NC(=O)/C(=N\OCC(=O)O)c3cscn3)C(=O)N12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 3/20 0.59
▸ PGR P06401 3/20 0.59
▸ POLB P06746 8/20 0.49
▸ MAPT P10636 7/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ PPARG P37231 2/20 0.48
▸ SLC22A6 Q4U2R8 2/20 0.48
▸ SLC22A8 Q8TCC7 2/20 0.48
▸ SLC22A11 Q9NSA0 2/20 0.48
▸ TDP1 Q9NUW8 9/20 0.47
▸ HTT P42858 1/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ APEX1 P27695 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ APAF1 O14727 2/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL11052277 1.00 NR1I2 (0.59) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL11131085 0.94 NR1I2 (0.59) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL11131088 0.94 NR1I2 (0.59) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL11056336 0.93 NR1I2 (0.65) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL11056358 0.93 NR1I2 (0.65) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL11051358 0.92 NR1I2 (0.55) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL11051354 0.92 NR1I2 (0.55) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL10939443 0.91 NR1I2 (0.70) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL10939435 0.91 NR1I2 (0.70) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL11052482 0.85 TDP1 (0.51) NR1I2PGRPOLBMAPTALDH1A1

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-0108627-A2 Cephalosporin derivatives and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-16 — — EP disclosed
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