SCHEMBL10814101

SCHEMBL10814101

Cc1ccccc1Oc1ccccc1OC(=O)C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccsc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ KDM4E B2RXH2 7/20 0.53
▸ RECQL P46063 4/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TEK Q02763 1/20 0.53
▸ SLC15A2 Q16348 1/20 0.53
▸ LMNA P02545 4/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PDE3A Q14432 1/20 0.48
▸ RARB P10826 1/20 0.47
▸ RARG P13631 1/20 0.47
▸ NR1H2 P55055 1/20 0.47
▸ NR1H3 Q13133 1/20 0.47
▸ NR1I3 Q14994 1/20 0.47
▸ HRH1 P35367 1/20 0.46

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
SCHEMBL10814105 1.00 PTGS1 (0.68) PTGS1SMN1; SMN2KDM4ERECQLTDP1
SCHEMBL10740883 0.95 PTGS1 (0.72) PTGS1SMN1; SMN2KDM4ERECQLTDP1
SCHEMBL10815465 0.95 PTGS1 (0.72) PTGS1SMN1; SMN2KDM4ERECQLTDP1
SCHEMBL10740881 0.95 PTGS1 (0.72) PTGS1SMN1; SMN2KDM4ERECQLTDP1
SCHEMBL10741985 0.87 PTGS1 (0.77) PTGS1SMN1; SMN2KDM4ERECQLTDP1
SCHEMBL10741979 0.87 PTGS1 (0.77) PTGS1SMN1; SMN2KDM4ERECQLTDP1
SCHEMBL10735144 0.87 KDM4E (0.64) PTGS1KDM4ERECQLTDP1MEN1
SCHEMBL10735137 0.87 KDM4E (0.64) PTGS1KDM4ERECQLTDP1MEN1
SCHEMBL11498677 0.84 PTGS1 (0.84) PTGS1SMN1; SMN2KDM4ERECQLTDP1
Ticarcillin Cresyl SCHEMBL27673599 0.83 PTGS1 (0.73) PTGS1SMN1; SMN2KDM4ERECQLTDP1

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-0084948-B1 PENICILLIN DERIVATIVES BEECHAM GROUP PLC (GB) 1987-11-04 — — EP claimed
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