SCHEMBL9360418

SCHEMBL9360418

COCCOCOc1ccc(-c2nnc(SCC3=C(C(=O)OC(c4ccccc4)c4ccccc4)N4C(=O)[C@@H](NC(=O)/C(=N/OC(C(=O)OC(c5ccccc5)c5ccccc5)c5ccc(OCOCCOC)c(OCOCCOC)c5)c5csc(NC(c6ccccc6)(c6ccccc6)c6ccccc6)n5)[C@H]4SC3)o2)cc1OCOCCOC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.38
▸ PGR P06401 3/20 0.38
▸ MAPT P10636 5/20 0.37
▸ TDP1 Q9NUW8 5/20 0.37
▸ APEX1 P27695 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PPARG P37231 3/20 0.36
▸ SLC22A6 Q4U2R8 3/20 0.36
▸ SLC22A8 Q8TCC7 3/20 0.36
▸ SLC22A11 Q9NSA0 3/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ CYP2J2 P51589 1/20 0.36

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
SCHEMBL9360424 1.00 NR1I2 (0.38) NR1I2PGRMAPTTDP1APEX1
SCHEMBL9361257 0.94 NR1I2 (0.43) NR1I2PGRMAPTTDP1APEX1
SCHEMBL9361262 0.94 NR1I2 (0.43) NR1I2PGRMAPTTDP1APEX1
SCHEMBL9364784 0.90 TDP1 (0.36) NR1I2PGRMAPTTDP1APEX1
SCHEMBL9364788 0.90 TDP1 (0.36) NR1I2PGRMAPTTDP1APEX1
SCHEMBL9735564 0.90 PTGS1 (0.40) NR1I2PGRMAPTTDP1APEX1
SCHEMBL9735565 0.90 PTGS1 (0.40) NR1I2PGRMAPTTDP1APEX1
SCHEMBL9360563 0.90 PTGS1 (0.40) NR1I2PGRMAPTTDP1APEX1
SCHEMBL9360573 0.90 PTGS1 (0.40) NR1I2PGRMAPTTDP1APEX1
SCHEMBL9360994 0.90 NR1I2 (0.39) NR1I2PGRMAPTTDP1APEX1

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-0241901-B1 Cephalosporin derivatives, processes for their preparation and antibacterial agents BANYU PHARMA CO LTD (JP) 1994-08-24 — — EP disclosed
EP-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 — — EP disclosed
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