SCHEMBL11313191

SCHEMBL11313191

Cc1ccc(OC(=O)C(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.60
▸ RECQL P46063 4/20 0.60
▸ TDP1 Q9NUW8 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ TEK Q02763 1/20 0.60
▸ SLC15A2 Q16348 1/20 0.60
▸ LMNA P02545 5/20 0.59
▸ TSHR P16473 2/20 0.59
▸ PTGS1 P23219 3/20 0.57
▸ RARB P10826 1/20 0.51
▸ RARG P13631 1/20 0.51
▸ NR1H2 P55055 1/20 0.51
▸ NR1H3 Q13133 1/20 0.51
▸ NR1I3 Q14994 1/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ GLA P06280 1/20 0.51
▸ BLM P54132 1/20 0.51

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
SCHEMBL11313189 1.00 KDM4E (0.60) KDM4ERECQLTDP1POLBMEN1
SCHEMBL11311253 0.94 KDM4E (0.56) KDM4ERECQLTDP1POLBMEN1
SCHEMBL11311249 0.94 KDM4E (0.56) KDM4ERECQLTDP1POLBMEN1
SCHEMBL10735144 0.91 KDM4E (0.64) KDM4ERECQLTDP1POLBMEN1
SCHEMBL10735137 0.91 KDM4E (0.64) KDM4ERECQLTDP1POLBMEN1
Carbenicillin Phenyl SCHEMBL10734854 0.86 KDM4E (0.68) KDM4ERECQLTDP1POLBMEN1
Carbenicillin Phenyl SCHEMBL150616 0.86 KDM4E (0.68) KDM4ERECQLTDP1POLBMEN1
Carbenicillin Phenyl SCHEMBL11310099 0.86 KDM4E (0.68) KDM4ERECQLTDP1POLBMEN1
Carbenicillin Phenyl SCHEMBL150615 0.86 KDM4E (0.68) KDM4ERECQLTDP1POLBMEN1
SCHEMBL11308192 0.85 KDM4E (0.61) KDM4ERECQLTDP1POLBMEN1

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
US-4304717-A Process for the preparation of reactive penicillanic acid and cephalosporanic acid derivatives CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1981-12-08 — — US claimed
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