SCHEMBL10354299

SCHEMBL10354299

CON=C(C(=O)NC1C(=O)N2C(OC(=O)O)=C(C=Cc3scnc3C)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ USP2 O75604 1/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ HPGD P15428 1/20 0.71
▸ FAP Q12884 1/20 0.71
▸ NR1I2 O75469 5/20 0.58
▸ PGR P06401 2/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ HTR2C P28335 1/20 0.57
▸ ALB P02768 1/20 0.55
▸ PPARG P37231 1/20 0.55
▸ SLC22A6 Q4U2R8 1/20 0.55
▸ SLC22A8 Q8TCC7 1/20 0.55
▸ SLC22A11 Q9NSA0 1/20 0.55
▸ PTGS1 P23219 1/20 0.54
▸ TDP1 Q9NUW8 7/20 0.52
▸ APEX1 P27695 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL7763045 0.93 MAPT (0.62) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10354133 0.93 MAPT (0.64) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10353979 0.93 MAPT (0.61) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10354055 0.91 MAPT (0.62) MAPTALDH1A1USP2CYP3A4HPGD
Cefditoren SCHEMBL13986532 0.90 MAPT (0.79) MAPTALDH1A1USP2CYP3A4HPGD
Cefditoren SCHEMBL183494 0.90 MAPT (0.79) MAPTALDH1A1USP2CYP3A4HPGD
Cefditoren SCHEMBL37473 0.90 MAPT (0.79) MAPTALDH1A1USP2CYP3A4HPGD
Cefditoren SCHEMBL1650584 0.90 MAPT (0.79) MAPTALDH1A1USP2CYP3A4HPGD
Cefditoren SCHEMBL2925672 0.90 MAPT (0.79) MAPTALDH1A1USP2CYP3A4HPGD
Cefditoren SCHEMBL157719 0.90 MAPT (0.79) MAPTALDH1A1USP2CYP3A4HPGD

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-0175610-B1 NEW CEPHALOSPORIN COMPOUNDS AND THE PRODUCTION THEREOF MEIJI SEIKA KAISHA LTD. (JP) 1990-08-29 — — EP claimed
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