SCHEMBL10530868

SCHEMBL10530868

CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=C(Br)Br)CS[C@@H]12)c1csc(NC=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ ALB P02768 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47
▸ SLC22A8 Q8TCC7 1/20 0.47
▸ SLC22A11 Q9NSA0 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ PTGS1 P23219 2/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ PGR P06401 2/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ TDP1 Q9NUW8 5/20 0.45
▸ APEX1 P27695 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ PKM P14618 1/20 0.45

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
SCHEMBL10530861 1.00 NR1I2 (0.47) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL7072611 0.94 NR1I2 (0.50) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL10530847 0.94 NR1I2 (0.50) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL10531302 0.94 NR1I2 (0.47) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL10531311 0.94 NR1I2 (0.47) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL9482880 0.92 TDP1 (0.52) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL9482885 0.92 TDP1 (0.52) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL9483140 0.90 NR1I2 (0.47) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL10796450 0.89 MAPT (0.48) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL10796446 0.89 MAPT (0.48) NR1I2MAPTALBPPARGSLC22A6

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-0109683-B1 NEW CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-11 — — EP disclosed
US-4609730-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-09-02 — — US disclosed
Send feedback