SCHEMBL10436802

SCHEMBL10436802

COc1ccc(COc2cc(CO/N=C(\C(=O)O)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc(Cl)c2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ POLB P06746 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 8/20 0.38
▸ GAA P10253 5/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ PTGER1 P34995 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ PTPN1 P18031 1/20 0.35

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
SCHEMBL10436704 0.91 MAPT (0.38) LMNAKDM4EPOLBCYP1A2CYP2C9
SCHEMBL10436796 0.90 MAPT (0.38) LMNAKDM4EPOLBCYP1A2CYP2C9
SCHEMBL10436795 0.90 MAPT (0.38) LMNAKDM4EPOLBCYP1A2CYP2C9
SCHEMBL10436646 0.90 MAPT (0.39) LMNAPOLBMAPTGAAMEN1
SCHEMBL10436652 0.90 MAPT (0.39) LMNAPOLBMAPTGAAMEN1
SCHEMBL10436670 0.89 MAPT (0.36) LMNAKDM4EPOLBCYP1A2CYP2C9
SCHEMBL10436677 0.89 MAPT (0.36) LMNAKDM4EPOLBCYP1A2CYP2C9
SCHEMBL10804728 0.88 MAPT (0.44) LMNAPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL10747586 0.88 MAPT (0.44) LMNAPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL10436671 0.87 PTGER1 (0.37) LMNAKDM4EPOLBCYP1A2CYP2C9

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-0400805-A1 Cephalosporin compounds and their use Ishimaru, Toshiyasu (JP) 1990-12-05 — — EP disclosed
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