SCHEMBL11308192

SCHEMBL11308192

Cc1ccc(OC(=O)C(C(=O)NC2C(=O)N3C(C(=O)O)C(C)(C)S[C@@H]23)c2ccccc2)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.61
▸ RECQL P46063 4/20 0.61
▸ TDP1 Q9NUW8 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ TEK Q02763 1/20 0.61
▸ SLC15A2 Q16348 1/20 0.61
▸ LMNA P02545 4/20 0.60
▸ TSHR P16473 1/20 0.60
▸ PTGS1 P23219 2/20 0.58
▸ CCKBR P32239 1/20 0.53
▸ RARB P10826 1/20 0.52
▸ RARG P13631 1/20 0.52
▸ NR1H2 P55055 1/20 0.52
▸ NR1H3 Q13133 1/20 0.52
▸ NR1I3 Q14994 1/20 0.52
▸ CA1 P00915 4/20 0.52
▸ CA2 P00918 4/20 0.52

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
SCHEMBL11308196 1.00 KDM4E (0.61) KDM4ERECQLTDP1MEN1KMT2A
SCHEMBL11309239 0.94 KDM4E (0.57) KDM4ERECQLTDP1MEN1KMT2A
SCHEMBL11309237 0.94 KDM4E (0.57) KDM4ERECQLTDP1MEN1KMT2A
Carbenicillin Phenyl SCHEMBL10734854 0.90 KDM4E (0.68) KDM4ERECQLTDP1MEN1KMT2A
Carbenicillin Phenyl SCHEMBL150616 0.90 KDM4E (0.68) KDM4ERECQLTDP1MEN1KMT2A
Carbenicillin Phenyl SCHEMBL150615 0.90 KDM4E (0.68) KDM4ERECQLTDP1MEN1KMT2A
Carbenicillin Phenyl SCHEMBL11310099 0.90 KDM4E (0.68) KDM4ERECQLTDP1MEN1KMT2A
Carbenicillin Phenyl SCHEMBL11308037 0.89 KDM4E (0.67) KDM4ERECQLTDP1MEN1KMT2A
Carbenicillin Phenyl SCHEMBL11475569 0.89 KDM4E (0.67) KDM4ERECQLTDP1MEN1KMT2A
Carbenicillin Phenyl SCHEMBL586468 0.89 KDM4E (0.67) KDM4ERECQLTDP1MEN1KMT2A

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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